2,7-Dihydroxy-3,3,7-trimethyl-11-methylidenedodecahydro-5a,8-methanocyclohepta[b]naphthalen-4(1H)-one
Basic information
- CAS
39012-11-8- Standard SMILES
C=C1C2CC[C@@H]3CC2(C[C@H]2C(=O)C(C)(C)[C@@H](O)C[C@H]12)C[C@]3(C)O- InChIKey
PPCGOUZKOFOMBR-DRAGOOLQSA-N- Molecular formula
- C20H30O3
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.21949481
Names & identifiers
- Preferred name
- 2,7-Dihydroxy-3,3,7-trimethyl-11-methylidenedodecahydro-5a,8-methanocyclohepta[b]naphthalen-4(1H)-one
- IUPAC
- (3R,6S,8S,13R,14S)-6,14-dihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.03,8]hexadecan-4-one
Names & synonyms
2,7-Dihydroxy-3,3,7-trimethyl-11-methylidenedodecahydro-5a,8-methanocyclohepta[b]naphthalen-4(1H)-oneDTXSID90959856(2S,4aR,7S,8R,11aS)-2,7-Dihydroxy-3,3,7-trimethyl-11-methylidenedodecahydro-5a,8-methanocyclohepta[b]naphthalen-4(1H)-one(3R,6S,8S,13R,14S)-6,14-dihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.03,8]hexadecan-4-one
Database identifiers
- CAS
39012-11-8- PubChem CID
- 25199690
- DTXSID
DTXSID90959856
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 579
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…