Basic information
- CAS
6197-99-5- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4O[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
AIXGQXXQMMDKHU-INRRJMHXSA-N- Molecular formula
- C26H46O2
- Average molar mass
- 390.6 g/mol
- Monoisotopic mass
- 390.34978071
Names & identifiers
- Preferred name
- (2R,4AR,4bS,6aR,7R,9aS,9bS,11aR)-4a,6a-dimethyl-7-((R)-6-methylheptan-2-yl)hexadecahydroindeno[5,4-f]chromen-2-ol
- IUPAC
- (1R,3aS,3bS,5aR,7R,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]chromen-7-ol
Names & synonyms
6197-99-5(2R,4AR,4bS,6aR,7R,9aS,9bS,11aR)-4a,6a-dimethyl-7-((R)-6-methylheptan-2-yl)hexadecahydroindeno[5,4-f]chromen-2-olNSC61699NSC-61699(1S,2R,5R,7R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]-6-oxatetracyclo[8.7.0.0,.0,heptadecan-5-ol
Database identifiers
- CAS
6197-99-5- PubChem CID
- 247293
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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