9,19-Cyclolanost-25-en-3-ol, 24-methyl-, (3beta,24S)-
Basic information
- CAS
511-61-5- Standard SMILES
C=C(C)C(C)CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C- InChIKey
IXHACUTUTOCSJE-UHFFFAOYSA-N- Molecular formula
- C31H52O
- Average molar mass
- 440.7 g/mol
- Monoisotopic mass
- 440.40181628
Overview
9,19-Cyclolanost-25-en-3-ol, 24-methyl-, (3beta,24S)- has been reported in Tillandsia, Goniophlebium formosanum, and other organisms with data available.
Names & identifiers
- Preferred name
- 9,19-Cyclolanost-25-en-3-ol, 24-methyl-, (3beta,24S)-
- IUPAC
- 15-(5,6-dimethylhept-6-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Names & synonyms
RefChem:10748589,19-Cyclolanost-25-en-3-ol, 24-methyl-, (3beta,24S)-15-(5,6-dimethylhept-6-en-2-yl)-7,7,12,16-tetramethylpentacyclo(9.7.0.01,3.03,8.012,16)octadecan-6-ol9,19-Cyclolanost-25-en-3-ol, 24-methyl-, (3.beta.,24S)-9,19-Cyclo-9.beta.-lanost-25-en-3.beta.-ol, 24-methyl-, (24S)-IXHACUTUTOCSJE-UHFFFAOYSA-N3a,6,6,12a-Tetramethyl-1-(1,4,5-trimethyl-5-hexenyl)tetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-ol #
Database identifiers
- CAS
511-61-5- PubChem CID
- 550205
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 781
Experimental & physicochemical properties
Melting Point125 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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