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Basic information
- CAS
23839-47-6- Standard SMILES
CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3- InChIKey
ZWTGNSZOWCZDDE-BNYLYJPMSA-N- Molecular formula
- C28H46O
- Average molar mass
- 398.7 g/mol
- Monoisotopic mass
- 398.35486609
Names & identifiers
- Preferred name
- Ignosterol
- IUPAC
- (3S,5S,10S,13R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
- English name
- ignosterol
- Molecular formula
- C28H46O
- Molecular weight
- 398.66
Names & synonyms
Ignosterol23839-47-65alpha-Ergosta-8,14-dien-3beta-olSHK5F5Q59M(3S,5S,10S,13R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol(3S,5S,10S,13R,17R)-17-((2R,5S)-5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta(a)phenanthren-3-olRefChem:1477465 alpha-ergosta-8,14-dien-3 beta-olErgosta-8,14-dien-3-olUNII-SHK5F5Q59MDTXSID90946645.DELTA.8(9),14-ERGOSTADIENOL
Show more names
Ergosta-8,14-dien-3-ol, (3β,5α)-
5.ALPHA.-ERGOST-8,14-DIEN-3.BETA.-OL5.ALPHA.-ERGOSTA-8,14-DIEN-3.BETA.-OLQ27289212(24S)-5.ALPHA.-ERGOSTA-8,14-DIEN-3.BETA.-OLERGOSTA-8,14-DIEN-3-OL, (3.BETA.,5.ALPHA.)-
Database identifiers
- CAS
23839-47-6- PubChem CID
- 90278
- DTXSID
DTXSID90946645- UNII
- SHK5F5Q59M
- Nikkaji
- J386.587H
Properties
Computed structural propertiesFilling in
- XLogP
- 7.7
- 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
- 684
Physicochemical properties
- FDA UNII
- 5 F5Q59M · SHK5F5Q59M
Chemistry & industry
Applications
UsesIgnosterol is used in sterol inhibitory studies of novel antifungal compounds.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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