Glabretal
Basic information
- CAS
41943-01-5- Standard SMILES
CC(=O)O[C@@H]1CC2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]2CC[C@]34C[C@@]3(CC[C@@H]4[C@@]3(C)CC(C4OC4(C)C)OC3O)[C@H]12- InChIKey
ZYJMWOAGUVAETR-ZGDOVQMESA-N- Molecular formula
- C32H50O6
- Average molar mass
- 530.7 g/mol
- Monoisotopic mass
- 530.36073931
Names & identifiers
- Preferred name
- Glabretal
- IUPAC
- [(1S,2R,3R,7R,10R,11S,14R,15S)-15-[(3R)-5-(3,3-dimethyloxiran-2-yl)-2-hydroxy-3-methyloxolan-3-yl]-7-hydroxy-6,6,10-trimethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] acetate
Names & synonyms
Glabretal41943-01-513,30-Cyclodammarane-3,7,21-triol, 21,23:24,25-diepoxy-, 7-acetate, (3alpha,7alpha,17alpha,20S,23R,24R)-
Database identifiers
- CAS
41943-01-5- PubChem CID
- 181714
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,040
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Compound notes
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