(1beta,3beta)-Spirosta-5,25(27)-dien-1,3-diol

Basic Information

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CAS Number

17676-33-4

Molecular Formula

C27H40O4

Molecular Weight

428.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Solubility

Insuluble (5.1E-3 g/L) (25 ºC),

SMILES

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CC1C2C(CC3C2(CCC4C3CC=C5C4(C(CC(C5)O)O)C)C)OC16CCC(=C)CO6

InChI

InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,16,18-24,28-29H,1,6-14H2,2-4H3/t16-,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1

InChIKey

ALTRINCJVPIQNK-NHIXJPGBSA-N

LogP

4.6048000000000044

Topological Polar Surface Area

58.92 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

820

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

AC-34907
HY-N2253
(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14,16-diol
EINECS 241-660-1
Neoruscogenin
Spirosta-5,25(27)-dien-1beta,3beta-diol
25(27)-Dehydroruscogenin
17676-33-4
Spirosta-5,25(27)-diene-1beta,3beta-diol
UNII-D4E4KC2TUK
MS-27595
MFCD00210534
s2654
Spirosta-5,25(27)-diene-1,3-diol, (1beta,3beta)-
Spirosta-5,25(27)-diene-1,3-diol, (1.beta.,3.beta.)-
delta5-Convallamarogenin
LMST01080048
CS-0019582
Spirosta-5,25(27)-diene-1,3-diol, (1b,3b)-
D4E4KC2TUK
NEORUSCOGENIN [INCI]
Spirosta-5,25(27)-diene-1,3-diol,(1b,3b)-
NEORUSCOGENIN(P)
SPIROSTA-5,25(27)-DIENE-1B,3B-DIOL
spirosta-5,25(27)-diene-1beta,3beta-diol
NEORUSCOGENIN
Einecs 241-660-1
Spirosta-5,25(27)-diene-1β,3β-diol
Neoruscogenin

MDL Number

MFCD00210534

FAQ

What are the physical and chemical properties of (1beta,3beta)-Spirosta-5,25(27)-dien-1,3-diol (CAS: 17676-33-4)?

(1beta,3beta)-Spirosta-5,25(27)-dien-1,3-diol is a steroidal compound with a molecular weight of approximately 328.46 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and chloroform. The compound is stable under normal conditions but reacts with strong oxidizing agents. It crystallizes in the form of colorless needles or prisms.

How is (1beta,3beta)-Spirosta-5,25(27)-dien-1,3-diol (CAS: 17676-33-4) typically synthesized?

(1beta,3beta)-Spirosta-5,25(27)-dien-1,3-diol can be synthesized via a multi-step process involving the condensation of a squalene derivative with a sterol ring system. Common methods include the use of palladium catalysts in hydrogenation reactions and ring formation steps. Yields can vary depending on the specific method but are generally around 70-80%.

What industries use (1beta,3beta)-Spirosta-5,25(27)-dien-1,3-diol (CAS: 17676-33-4)?

(1beta,3beta)-Spirosta-5,25(27)-dien-1,3-diol is primarily used in the pharmaceutical industry for the development of hormonal drugs. It is also employed in the cosmetic industry as a component in some topical preparations. Additionally, it finds applications in the production of certain agricultural chemicals and as a precursor in organic synthesis.

What precautions should be taken when handling (1beta,3beta)-Spirosta-5,25(27)-dien-1,3-diol (CAS: 17676-33-4)?

When handling (1beta,3beta)-Spirosta-5,25(27)-dien-1,3-diol, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and lab coats. Work should be carried out in a well-ventilated area or fume hood, and spill cleanup should follow standard safety procedures. Always consult the Safety Data Sheet (SDS) for detailed information on proper handling and emergency response.