Basic information
- CAS
120542-30-5- Standard SMILES
CC1=C2CC[C@]3(C)C(=O)CC[C@H]3[C@@H]2C[C@@H]2CCC(=O)C=C12- InChIKey
PKBSUKKDDVLORF-JTZSMWBOSA-N- Molecular formula
- C19H24O2
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.17763
Overview
structure given in first source
Names & identifiers
- Preferred name
- Anthrasteroid 2
- IUPAC
- (3aS,10aS,11aS,11bS)-3a,6-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dione
- English name
- 3,6-dimethyl-2,3,3a,4,5,8,9,10,10,11,11,11-dodecahydro-1H-cyclopenta(a)anthracene-3,8-dione
- Molecular formula
- C19H24O2
- Molecular weight
- 284.39
Names & synonyms
Anthrasteroid 2120542-30-53,6-Dimethyl-2,3,3a,4,5,8,9,10,10,11,11,11-dodecahydro-1H-cyclopenta(a)anthracene-3,8-dioneRefChem:915958(3aS,10aS,11aS,11bS)-3a,6-dimethyl-1,2,4,5,9,10,10a,11,11a,11b-decahydrocyclopenta[a]anthracene-3,8-dioneDTXSID409234613abeta,6-Dimethyl-2,3,3a,4,5,8,9,10,10abeta,11,11abeta,11balpha-dodecahydro-1H-cyclopenta(a)anthracene-3,8-dione1,6-Cyclo-1,10-secoandrosta-4,9-diene-3,17-dione, (6beta)-(3aS,10aS,11aS,11bS)-3a,6-Dimethyl-4,5,9,10,10a,11,11a,11b-octahydro-1H-cyclopenta[a]anthracene-3,8(2H,3aH)-dione3a,6-Dimethyl-4,5,9,10,10a,11,11a,11b-octahydro-1H-cyclopenta[a]anthracene-3,8(2H,3aH)-dione1H-Cyclopent[a]anthracene-3,8(2H,3aH)-dione, 4,5,9,10,10a,11,11a,11b-octahydro-3a,6-dimethyl-, (3aS,10aS,11aS,11bS)-
Database identifiers
- CAS
120542-30-5- PubChem CID
- 129186
- DTXSID
DTXSID40923461- Nikkaji
- J367.469J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 595
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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