(3s,3As,5as,6r,7r,9ar,9bs)-6-(3-hydroxypropyl)-3a,6-dimethyldodecahydro-1h-cyclopenta[a]naphthalene-3,7-diol
Basic information
- CAS
35144-86-6- Standard SMILES
C[C@]1(CCCO)[C@H](O)CC[C@@H]2[C@@H]1CC[C@]1(C)[C@@H](O)CC[C@@H]21- InChIKey
ACUPKQHIFDBMOE-TTYRWSMDSA-N- Molecular formula
- C18H32O3
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.23514488
Names & identifiers
- Preferred name
- (3s,3As,5as,6r,7r,9ar,9bs)-6-(3-hydroxypropyl)-3a,6-dimethyldodecahydro-1h-cyclopenta[a]naphthalene-3,7-diol
- IUPAC
- (3S,3aS,5aS,6R,7R,9aR,9bS)-6-(3-hydroxypropyl)-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3,7-diol
Names & synonyms
35144-86-6(3s,3as,5as,6r,7r,9ar,9bs)-6-(3-hydroxypropyl)-3a,6-dimethyldodecahydro-1h-cyclopenta[a]naphthalene-3,7-diolNSC61695DTXSID30289508NSC-61695
Database identifiers
- CAS
35144-86-6- PubChem CID
- 247290
- DTXSID
DTXSID30289508
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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