24-Methylcholesta-7,9(11),24(28)-trien-3-ol
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Basic information
- CAS
84223-03-0- Standard SMILES
C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C- InChIKey
MOVFCUILMBMDSX-QKPORZECSA-N- Molecular formula
- C28H44O
- Average molar mass
- 396.6 g/mol
- Monoisotopic mass
- 396.33921602
Overview
marine sterol from Black sea sponge Haliclona flavescens; RN given refers to (3beta,5alpha)-isomer
Names & identifiers
- Preferred name
- 24-Methylcholesta-7,9(11),24(28)-trien-3-ol
- IUPAC
- (3S,5S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
- English name
- 24-methylcholesta-7,9(11),24(28)-trien-3-ol
- Molecular formula
- C28H44O
- Molecular weight
- 396.65
Names & synonyms
24-MECTO84223-03-0Ergosta-7,9(11),24(28)-trien-3-ol, (3beta,5alpha)-24-Methylcholesta-7,9(11),24(28)-trien-3-olRefChem:89836(3S,5S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-olErgosta-7,9(11),24(28)-trien-3beta-ol24-Methyl-5alpha-cholesta-7,9(11),24(28)-trien-3beta-olDTXSID301004484Ergosta-7,9(11),24(28)-trien-3ss-ol5alpha-Ergosta-7,9(11),24(28)-trien-3beta-ol5alpha-Ergosta-7,9(11),24(24~1~)-trien-3beta-ol
Show more names
Ergosta-7,9(11),24(28)-trien-3β-olErgosta-7,9(11),24(28)-trien-3-ol, (3β,5α)- (9CI)
Properties
Computed structural propertiesFilling in
- XLogP
- 7.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 712
Physicochemical properties
- Boiling point
- 507.4 · 507.4±49.0 °C(Predicted)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- pka
- 15.09 · 15.09±0.70(Predicted)
Chemistry & industry
Applications
UsesErgosta-7,9(11),24(28)-trien-3β-ol was one of the 23 sterols found in marine invertebrate, Black Sea sponge.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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