Basic information
- Standard SMILES
C[C@H](CC[C@@H](C)C(C)(C)O)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C- InChIKey
RNYILCHKMKBIPK-MLOYFZJISA-N- Molecular formula
- C28H46O3
- Average molar mass
- 430.7 g/mol
Names & identifiers
- Preferred name
- (24R)-5,7-Ergostadiene-1alpha,3beta,25-triol
- IUPAC
- (1S,3R,9S,10R,13R,14R,17R)-17-[(2R,5R)-6-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol
Names & synonyms
SCHEMBL9182553RNYILCHKMKBIPK-MLOYFZJISA-N(24R)-5,7-Ergostadiene-1alpha,3beta,25-triol
Database identifiers
- PubChem CID
- 23239490
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 751
Related reactions
1 records
Compound notes
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