Basic information
- Standard SMILES
CC1(C)OC[C@@](CO)([C@@H]2CC[C@@H]3C(=CC[C@H]4[C@H]3CC[C@@H](O)[C@]4(C)CO)C2)O1- InChIKey
QQACSPRYRQAXGF-HTKHZWTPSA-N- Molecular formula
- C22H36O5
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.25627425
Names & identifiers
- Preferred name
- (1S,2R,4aS,4bS,7R,10aS)-1-(hydroxymethyl)-7-[(4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methyl-3,4,4a,4b,5,6,7,8,10,10a-decahydro-2H-phenanthren-2-ol
- IUPAC
- (1S,2R,4aS,4bS,7R,10aS)-1-(hydroxymethyl)-7-[(4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methyl-3,4,4a,4b,5,6,7,8,10,10a-decahydro-2H-phenanthren-2-ol
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 602
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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