Basic information
- CAS
26525-84-8- Standard SMILES
CC(CCCC(C)(C)O)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C- InChIKey
VUMUFIITBXMVIJ-UHFFFAOYSA-N- Molecular formula
- C30H52O2
- Average molar mass
- 444.7 g/mol
- Monoisotopic mass
- 444.3967309
Overview
3beta-Cycloartane-3,25-diol has been reported in Aphanamixis grandifolia and Aphanamixis polystachya with data available.
Names & identifiers
- Preferred name
- 3beta-Cycloartane-3,25-diol
- IUPAC
- 15-(6-hydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Names & synonyms
Cycloartane-3.beta.,25-diol3beta-Cycloartane-3,25-diolVUMUFIITBXMVIJ-UHFFFAOYSA-N9,19-Cyclo-9.beta.-lanostane-3.beta.,25-diol1-(5-Hydroxy-1,5-dimethylhexyl)-3a,6,6,12a-tetramethyltetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-ol #
Database identifiers
- CAS
26525-84-8- PubChem CID
- 565447
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 756
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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