Basic information
- CAS
11012-90-1- Standard SMILES
CC12CCC3C4CCC(O)C=C4CCC3C1CCC2O- InChIKey
CMXKUJNZWYTFJN-UHFFFAOYSA-N- Molecular formula
- C18H28O2
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.20893013
Names & identifiers
- Preferred name
- Demetric acid
- IUPAC
- 13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
Names & synonyms
DEMETRIC ACID11012-90-1RefChem:336811DTXSID901017063Estren4-Estren-3alpha, 17beta-diolAKOS015963315AC-19326
Database identifiers
- CAS
11012-90-1- PubChem CID
- 25440
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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