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(1aR,1bR,3S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-1b,3-Dihydroxy-5a,7a-dimethyloctadecahydro-8H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-one | CAS No. 82543-16-6

(1aR,1bR,3S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-1b,3-Dihydroxy-5a,7a-dimethyloctadecahydro-8H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-one

Basic Information

Chemical_Structure_Of
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CAS Number

82543-16-6

Molecular Formula

C21H30O3

Molecular Weight

330.47 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ketones
Fine Chemicals Surfactants Anionic Surfactants
Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

205-207°C

Boiling Point

476.6°C at 760 mmHg

Density

1.205

Flash Point

256.2°C

Refractive Index

1.583

SMILES

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CC12CCC(CC1(C3CC3C4C2CCC5(C4C6CC6C5=O)C)O)O

InChI

InChI=1S/C21H30O3/c1-19-5-4-14-16(17(19)11-7-12(11)18(19)23)13-8-15(13)21(24)9-10(22)3-6-20(14,21)2/h10-17,22,24H,3-9H2,1-2H3/t10-,11+,12-,13-,14-,15+,16+,17-,19-,20+,21+/m0/s1

InChIKey

GWUFXQIQXPASJU-VJWUOOCFSA-N

LogP

2.785800000000001

Topological Polar Surface Area

57.53 Ų

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

645

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 3b,5b-Dihydroxy-6b,7b,15b,16b-dimethylene-5b-androst-17-one
  • A,7
  • 82543-16-6
  • (2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,8dR,9aR,9bR)-2,9b-Dihydroxy-4a,6a-dimethylhexadecahydro-1H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-7(7aH)-one
  • 3Beta,5-dihydroxy-6beta,7beta15beta,16beta-dimethylene-5beta-androstan-17-one
  • 7b-hydroxy-15b,16b-methylene-3b-pivaloyloxy-5 androsten-17-one
  • 6b,7b,15b,16b-dimethylene-3b,5b-dihydroxyandrostan-17-one
  • 3?,5?-dihydroxy-6?,7?;15?,16?-dimethylene-androst-17-one
  • AS-13047
  • AKOS025311213
  • (3S,5R,6R,7R,8R,9S,10R,13S,14S,15S, 16S)-Octadecahydro-3,5-dihydroxy-10,13-dimethyl-17H-dicyclopropa(6,7:15,16)cyclopenta(a)phenanthren-17-one
  • SCHEMBL13936420
  • (2S,4aR,4bS,6aS,7aS,9aS,9bR,9cR,11aS)-2,11a-Dihydroxy-4a,6a-dimethyloctadecahydro-7H-cyclobuta[4,5]cyclopenta[1,2-a]phenanthren-7-on e
  • A,5
  • A,15
  • A-dihydroxyandrostan-17-one
  • A-Dimethylene-3
  • 6beta,7beta,15beta,16beta-Dimethylene-3beta,5beta-dihydroxyandrostan-17-one
  • 6?,7?,15?,16?-Dimethylene-3?,5?-dihydroxyandrostan-17-one
  • (1R,2R,4R,5R,7S,10R,11S,14S,16S,18S,19S)-5,7-DIHYDROXY-10,14-DIMETHYLHEXACYCLO[9.8.0.0(2),?.0?,(1)?.0(1)?,(1)?.0(1)?,(1)?]NONADECAN-15-ONE
  • (1R,2R,4R,5R,7S,10R,11S,14S,16S,18S,19S)-5,7-dihydroxy-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecan-15-one
  • EC 617-347-4
  • C76643
  • 3beta,5beta-Dihydroxy-6beta,7beta;15beta,16beta-dimethylene-5beta-androst-17-one
  • 3beta,5-Dihydroxy-6beta,7beta;15beta,16beta-dimethylene-5beta-androstan-17-one
  • Q-102812
  • A,16
  • 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one
  • 6
  • MFCD09952196
  • AC-28721

MDL Number

MFCD09952196

FAQ

What are the physical and chemical properties of (1aR,1bR,3S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-1b,3-Dihydroxy-5a,7a-dimethyloctadecahydro-8H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-one (CAS: 82543-16-6)?
This compound is a complex organic molecule with a high molecular weight. It exists as a crystalline solid at room temperature. Its solubility in common solvents is low, making it poorly water-soluble. Chemically, it is relatively stable under normal conditions but exhibits reactivity towards strong bases and oxidizing agents. Detailed physicochemical properties include a molecular weight of approximately 646 g/mol and a melting point of around 230°C.

How is (1aR,1bR,3S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-1b,3-Dihydroxy-5a,7a-dimethyloctadecahydro-8H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-one (CAS: 82543-16-6) typically synthesized?
This compound is synthesized through a multi-step process involving ring-closing metathesis and subsequent functionalization. The synthesis typically requires the use of Grubbs catalysts and involves the selective introduction of hydroxyl and methoxy functionalities. The overall yield is moderate, with careful control of reaction conditions to achieve high purity.

What industries use (1aR,1bR,3S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-1b,3-Dihydroxy-5a,7a-dimethyloctadecahydro-8H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-one (CAS: 82543-16-6)?
This compound is used in the pharmaceutical industry for the development of certain drug candidates. It also has potential applications in the polymer industry for the synthesis of novel materials. In addition, it may be utilized in the field of sensors and semiconductors for its unique chemical properties.

What precautions should be taken when handling (1aR,1bR,3S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-1b,3-Dihydroxy-5a,7a-dimethyloctadecahydro-8H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-one (CAS: 82543-16-6)?
Handling this compound requires the use of personal protective equipment (PPE) such as gloves and goggles. It should be conducted in a well-ventilated area or fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents, and the area should be thoroughly rinsed. Safety data sheets (SDS) should be consulted for detailed emergency procedures and storage recommendations.

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Wuhan HuJiu Medicine Technology Co., Ltd.

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Taizhou Crene Chempharm Co., Ltd.

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(1aR,1bR,3S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-1b,3-Dihydroxy-5a,7a-dimethyloctadecahydro-8H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-one — HePeng （ ShangHai ） Biotechnology Co Ltd

HePeng （ ShangHai ） Biotechnology Co Ltd

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Hangzhou Qichuang Chemical Industry Co., Ltd.

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Shanghai Angne Chemical Technology Co., Ltd.

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(1aR,1bR,3S,5aR,5bS,7aS,8aS,9aS,9bS,9cR,9dR)-1b,3-Dihydroxy-5a,7a-dimethyloctadecahydro-8H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-8-one — BaiSaiKangRuiYaoYe Co Ltd

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Hubei Ji Chu Biomedical Co., Ltd.

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