Chondrillasterol
Basic information
- CAS
481-17-4- Standard SMILES
CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C- InChIKey
JZVFJDZBLUFKCA-INYURWPISA-N- Molecular formula
- C29H48O
- Average molar mass
- 412.7 g/mol
- Monoisotopic mass
- 412.37051615
Overview
Poriferasta-7,22E-dien-3beta-ol is a steroid. It derives from a hydride of a stigmastane.
Names & identifiers
- Preferred name
- Chondrillasterol
- IUPAC
- (3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Names & synonyms
ChondrillasterolChondryllasterol481-17-420N2XP8UR6trans-delta22-24beta-Ethyllathosterol24beta-Ethylcholesta-7,22-dien-3beta-ol5alpha-Stigmasta-7,22-dien-3beta-ol, (24R)-Stigmasta-7,22-dien-3-ol, (3beta,5alpha,22E,24R)-(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olDTXSID501026557(3S,5S,9R,10S,13R,14R,17R)-17-((E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-olRefChem:918545
Show more names
DTXCID101510720Stigmasta-7,22E-dien-3beta-olChondrillasterol [MI]UNII-20N2XP8UR6CondrillasterolCHEMBL45381815.alpha.-Stigmasta-7,22-dien-3.beta.-ol, (24R)-Stigmasta-7,22-dien-3-ol, (3.beta.,5.alpha.,22E,24R)-
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 8.3
- 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
- 674
Experimental & physicochemical properties
LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Stigmasterols and C24-ethyl derivatives [ST0104]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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