Methyl 1b,9-dihydroxy-4,7a-dimethyl-9a-propan-2-yl-1a,2,3,3a,5,6,7,7b,8,9-decahydrophenanthro[1,2-b]oxirene-4-carboxylate
Basic information
- CAS
34217-20-4- Standard SMILES
COC(=O)C1(C)CCCC2(C)C1CCC1(O)C2CC(O)C2(C(C)C)OC12- InChIKey
ZUPJCGMTNBLNGX-UHFFFAOYSA-N- Molecular formula
- C21H34O5
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.24062418
Names & identifiers
- Preferred name
- Methyl 1b,9-dihydroxy-4,7a-dimethyl-9a-propan-2-yl-1a,2,3,3a,5,6,7,7b,8,9-decahydrophenanthro[1,2-b]oxirene-4-carboxylate
- IUPAC
- methyl 1b,9-dihydroxy-4,7a-dimethyl-9a-propan-2-yl-1a,2,3,3a,5,6,7,7b,8,9-decahydrophenanthro[1,2-b]oxirene-4-carboxylate
Names & synonyms
NSC146190NSC-146190Phenanthro[1, tetradecahydro-1b,9-dihydroxy-4,7a-dimethyl-9a-(1-methylethyl)-, methyl ester, [1aR-(1a.alpha.,1b.beta.,3a.beta.,4.beta.,7a.alpha.,7b.beta.,9.beta.,9a.alpha.)]-
Database identifiers
- CAS
34217-20-4- PubChem CID
- 286953
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 620
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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