24-Methylene,25-methylcholesta-5-en-3beta-ol
Basic information
- CAS
89702-24-9- Standard SMILES
C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)C- InChIKey
QXDHYSHOINNEAZ-HSIBUNQISA-N- Molecular formula
- C29H48O
- Average molar mass
- 412.7 g/mol
- Monoisotopic mass
- 412.37051615
Overview
24-Methylene,25-methylcholesta-5-en-3beta-ol has been reported in Kalanchoe marmorata, Kalanchoe petitiana, and other organisms with data available.
Names & identifiers
- Preferred name
- 24-Methylene,25-methylcholesta-5-en-3beta-ol
- IUPAC
- (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6,6-dimethyl-5-methylideneheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Names & synonyms
24-methylene,25-methylcholesta-5-en-3beta-ol24-methylene-25-methylcholesterolLMST01030104SCHEMBL1545877DTXSID00127542689702-24-925-Methylergosta-5,24(28)-dien-3beta-ol(3I(2))-25-Methylergosta-5,24(28)-dien-3-ol
Database identifiers
- CAS
89702-24-9- PubChem CID
- 5283645
- DTXSID
DTXSID001275426- Nikkaji
- J348.304E
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 696
Experimental & physicochemical properties
LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Ergosterols and C24-methyl derivatives [ST0103]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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