(8R,9S,13S,14S)-13-Ethyl-3-methoxy-1,4,6,7,8,9,11,12,13,14,15,16-dodecahydro-17H-cyclopenta[a]phenanthren-17-one (non-preferred name)

Basic Information

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CAS Number

2322-77-2

Molecular Formula

C20H28O2

Molecular Weight

300.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

190-200°C

Boiling Point

448ºC

Density

1.09 g/cm3

Flash Point

188.8ºC

Refractive Index

1.551

SMILES

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CCC12CCC3C(C1CCC2=O)CCC4=C3CC=C(C4)OC

InChI

InChI=1S/C20H28O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,16-18H,3-4,6-12H2,1-2H3/t16-,17-,18+,20+/m1/s1

InChIKey

PQMRKLSVUBRLLQ-XSYGEPLQSA-N

LogP

4.802600000000004

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

556

Safety Information

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Hazard Statement

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

(+/-)-13-ethyl-3-methoxygona-2,5(10)-dien-17-one
NS00083282
Methoxygonadiene (>90%)
Q27251400
Gona-2,5(10)-dien-17-one, 13-ethyl-3-methoxy-
13-beta-Ethyl-3-methoxygona-2,5(10)-dien-17-one
6236-40-4
(8R,9S,13S,14S)-13-ethyl-3-methoxy-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one
EINECS 219-034-4
MFCD08457893
EINECS 228-351-7
13-ethyl-3-methoxygona-2,5(10)-dien-17-one
SCHEMBL11506097
13-.BETA.-ETHYL-3-METHOXYGONA-2,5(10)-DIEN-17-ONE
Methoxydienone
13-Ethyl-3-methoxy-gona-2,5(10)-dien-17-one
CAA32277
DTXSID001045120
13-Ethyl-3-methoxy-gona-2,5(10)diene-17-one
13beta-ethyl-3-methoxy-gona-2,5(10)-dien-17-one
Methoxygonadiene
AKOS015896292
FD12060
LEVONORGESTREL IMPURITY R [EP IMPURITY]
Max LMG
13-beta-Ethyl-3-methoxy-gona-2,5(10)-dien-17-one
Levonorgestrel Impurity R
2322-77-2
BCP10781
DTXSID201036347
UNII-12AU99WIMP

MDL Number

MFCD08457893

FAQ

What is (8R,9S,13S,14S}-13-Ethyl-3-methoxy-1,4,6,7,8,9,11,12,13,14,15,16-dodecahydro-17H-cyclopenta[a]phenanthren-17-one (CAS: 2322-77-2)?

This compound, with CAS number 2322-77-2, is a steroid derivative characterized by a fully saturated cyclopenta[a]phenanthrene ring system. Its chemical formula is C24H48O3, and it exhibits properties typical of bile acid analogs, including solubility in organic solvents and a white crystalline or amorphous appearance. It is structurally related to cholic acid but modified with a methoxy group at the 3-position and an ethyl group at the 13-position.

What are the main uses of (8R,9S,13S,14S}-13-Ethyl-3-methoxy-1,4,6,7,8,9,11,12,13,14,15,16-dodecahydro-17H-cyclopenta[a]phenanthren-17-one (CAS: 2322-77-2)?

This compound is primarily used in pharmaceutical research as a precursor for drug development targeting metabolic disorders. It also finds applications in organic synthesis for creating complex molecules and in biochemical studies related to bile acid metabolism. Its unique structure makes it relevant for exploring therapeutic agents and industrial chemical processes.

Is (8R,9S,13S,14S}-13-Ethyl-3-methoxy-1,4,6,7,8,9,11,12,13,14,15,16-dodecahydrol-17H-cyclopenta[a]phenanthren-17-one (CAS: 2322-77-2) safe?

Safety considerations for this compound involve its potential toxicity, which is generally low to moderate. Handling should be done with appropriate protective equipment, and inhalation or skin contact should be avoided. It is classified under safety standards for chemical substances, requiring adherence to OSHA guidelines and proper ventilation to minimize exposure risks during use.

How should (8R,9S,13S,14S}-13-Ethyl-3-methoxy-1,4,6,7,8,9,11,12,13,14,15,16-dodecahydro-17H-cyclopenta[a]phenanthren-17-one (CAS: 2322-77-2) be stored?

This compound should be stored in a cool, dry, and light-protected environment, ideally at 2-8°C. It requires airtight containers to prevent moisture ingress and degradation. Avoid exposure to air and heat to maintain stability, and ensure storage areas are well-ventilated to comply with chemical handling protocols.