(1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-Hexamethyl-8-(4-methyl-3-penten-1-yl)hexadecahydro-2(1H)-chrysenone

Basic Information

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CAS Number

10376-48-4

Molecular Formula

C30H50O

Molecular Weight

426.73 g/mol

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

Physical State

Powder

Melting Point

161-162°

Solubility

Methanol; Chloroform; Ethyl Acetate; Dichloromethane

Specific Rotation

D26.5 -56.1° (c = 1.07 in chloroform)

SMILES

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CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC(C4)(C)CCC=C(C)C)C)C)C)C

InChI

InChI=1S/C30H50O/c1-21(2)10-9-14-26(4)16-19-30(8)25-13-15-28(6)22(3)23(31)11-12-24(28)29(25,7)18-17-27(30,5)20-26/h10,22,24-25H,9,11-20H2,1-8H3/t22-,24+,25-,26+,27-,28+,29-,30+/m0/s1

InChIKey

HXPXUNQUXCHJLL-LZQQOHPBSA-N

LogP

8.767200000000004

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

760

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

CS-0009860
(1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methylpent-3-enyl)-1,3,4,4a,5,6,7,9,10,10b,11,12-dodecahydrochrysen-2-one
2(1H)-CHRYSENONE, HEXADECAHYDRO-1,4B,6A,8,10A,12A-HEXAMETHYL-8-(4-METHYL-3-PENTENYL)-, (1R-(1.ALPHA.,4A.BETA.,4B.ALPHA.,6A.BETA.,8.BETA.,10A.ALPHA.,10B.BETA.,12A.ALPHA.))-
HY-N0829
BT0AMD31UB
10376-48-4
2(1H)-CHRYSENONE, HEXADECAHYDRO-1,4B,6A,8,10A,12A-HEXAMETHYL-8-(4-METHYL-3-PENTEN-1-YL)-, (1R,4AS,4BS,6AS,8R,10AR,10BS,12AS)-
MFCD06799428
FT-0697220
SHIONONE [MI]
Q27132632
CHEBI:63459
D-Homo-5.alpha.-androstan-17-one, 3.alpha.,5,8,17a.beta.-tetramethyl-3-(4-methyl-3-pentenyl)-
AC-35082
UNII-BT0AMD31UB
C17966
D:A-Friedo-18,19-secolup-19-en-3-one
AKOS030573546
MS-27538
(1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methylpent-3-en-1-yl)hexadecahydrochrysen-2(1H)-one
Shionone
Samarium
2(1H)-Chrysenone,hexadecahydro-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methyl-3-penten-1-yl)-,(1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-
18,19-Seco-D:A-friedolup-19-en-3-one
21-Shionen-3-one
(4Ar,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methylpent-3-enyl)-1,3,4,4a,5,6,7,
Shionon

MDL Number

MFCD06799428

Customs Code

29143990

FAQ

What is (1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-Hexamethyl-8-(4-methyl-3-penten-1-yl)hexadecahydro-2(1H)-chrysenone (CAS: 10376-48-4)?

This is a complex polycyclic aromatic hydrocarbon derivative with a highly branched structure, featuring six methyl groups and a 4-methyl-3-penten-1-yl substituent. It is a white crystalline solid with low solubility in water and moderate stability under standard conditions. Its molecular formula is C22H26O, and it is primarily used as a research compound in pharmaceutical and organic chemistry applications.

What are the main uses of (1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-Hexamethyl-8-(4-methyl-3-penten-1-yl)hexadecahydro-2(1H)-chrysenone (CAS: 10376-48-4)?

This compound is mainly used in pharmaceutical research as a synthetic intermediate for drug development. It also serves in organic chemistry studies for structural analysis and as a component in specialized industrial formulations. Its applications include the exploration of anti-inflammatory and antioxidant properties, though it is not commonly used in food or consumer products.

Is (1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-Hexamethyl-8-(4-methyl-3-penten-1-yl)hexadecahydro-2(1H)-chrysenone (CAS: 10376-48-4) safe?

Safety data for this compound is limited, but it is generally considered low-toxicity when handled properly. Precautions include wearing protective gloves, goggles, and ensuring adequate ventilation. It should be treated as a potential irritant and follows standard chemical safety protocols. Always adhere to OSHA guidelines and consult safety data sheets for specific handling requirements.

How should (1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-Hexamethyl-8-(4-methyl-3-penten-1-yl)hexadecahydro-2(1H)-chrysenone (CAS: 10376-48-4) be stored?

Store in a cool, dry, and dark place at 2-8°C (36-46°F) to maintain stability. Keep in a sealed, airtight container to prevent moisture absorption and contamination. Avoid exposure to light and air, and ensure storage away from incompatible substances. It is stable under proper conditions but should be protected from thermal and oxidative degradation.