Basic information
- CAS
141272-44-8- Standard SMILES
CC(C)C[C@@]1(O)C[C@@H](C)[C@H]2[C@@H]1C(=O)[C@@H]1C3C(CC[C@]21C)[C@@]1(C)[C@H](O)[C@H](O)[C@@H](O)C[C@@H]1[C@@H](O)[C@@H]3O- InChIKey
DGXRPSIAVFYMOL-NFUSMCCKSA-N- Molecular formula
- C27H44O7
- Average molar mass
- 480.6 g/mol
- Monoisotopic mass
- 480.30870374
Names & identifiers
- Preferred name
- Xeatobergsterol B
- IUPAC
- (2R,4S,5R,7R,8S,9R,13R,14S,15R,16S,18S,19R,20R)-5,14,15,16,19,20-hexahydroxy-7,9,13-trimethyl-5-(2-methylpropyl)pentacyclo[10.8.0.02,9.04,8.013,18]icosan-3-one
Names & synonyms
Xeatobergsterol Bhexahydroxy-isobutyl-trimethyl-[?]one16,23-Cyclocholestan-15-one, 1,2,3,6,7,23-hexahydroxy-,(1.beta.,2.beta.,3.alpha.,5.alpha.,6.alpha.,7.beta.,14.beta.,16.alpha.,23.beta.)-
Database identifiers
- CAS
141272-44-8- PubChem CID
- 73131
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 847
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…