Basic information
- CAS
120542-29-2- Standard SMILES
CC1=C2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]2C[C@@H]2CCC(=O)C=C12- InChIKey
HGULMTJPHPUFCN-WKCWRMMGSA-N- Molecular formula
- C19H26O2
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.19328007
Overview
structure given in first source
Names & identifiers
- Preferred name
- Anthrasteroid 1
- IUPAC
- (3S,3aS,10aS,11aS,11bS)-3-hydroxy-3a,6-dimethyl-2,3,4,5,9,10,10a,11,11a,11b-decahydro-1H-cyclopenta[a]anthracen-8-one
- English name
- 3-hydroxy-3,6-dimethyl-2,3,3,4,5,8,9,10,10,11,11,11-dodecahydro-1H-cyclopenta(a)anthracene-8-one
- Molecular formula
- C19H26O2
- Molecular weight
- 286.41
Names & synonyms
Anthrasteroid 1120542-29-23-Hydroxy-3,6-dimethyl-2,3,3,4,5,8,9,10,10,11,11,11-dodecahydro-1H-cyclopenta(a)anthracene-8-oneRefChem:915957(3S,3aS,10aS,11aS,11bS)-3-hydroxy-3a,6-dimethyl-2,3,4,5,9,10,10a,11,11a,11b-decahydro-1H-cyclopenta[a]anthracen-8-oneDTXSID809234603beta-Hydroxy-3alpha,beta,6-dimethyl-2,3,3a,4,5,8,9,10,10abeta,11,11abeta,11balpha-dodecahydro-1H-cyclopenta(a)anthracene-8-one1,6-Cyclo-1,10-secoandrosta-4,9-dien-3-one, 17-hydroxy-, (6beta,17beta)-(3S,3aS,10aS,11aS,11bS)-3-hydroxy-3a,6-dimethyl-1,2,3,3a,4,5,9,10,10a,11,11a,11b-dodecahydro-8H-cyclopenta[a]anthracen-8-one3 beta-hydroxy-3alpha,beta,6-dimethyl-2,3,3a,4,5,8,9,10,10abeta,11,11abeta,11balpha-dodecahydro-1H-cyclopenta(a)anthracene-8-one3-Hydroxy-3a,6-dimethyl-1,2,3,3a,4,5,9,10,10a,11,11a,11b-dodecahydro-8H-cyclopenta[a]anthracen-8-one1,6-Cyclo-1,10-secoandrosta-4,9-dien-3-one, 17-hydroxy-, (6β,17β)- (9CI)
Database identifiers
- CAS
120542-29-2- PubChem CID
- 129185
- DTXSID
DTXSID80923460- Nikkaji
- J367.468A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 556
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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