24-Ethylcholesta-5,7,23-trien-3-ol
Basic information
- CAS
84873-14-3- Standard SMILES
CC/C(=C/C[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C- InChIKey
ZTQJBFUXLOAEBX-RBRVFCGISA-N- Molecular formula
- C29H46O
- Average molar mass
- 410.7 g/mol
- Monoisotopic mass
- 410.35486609
Overview
24-Ethylcholesta-5,7,23-trien-3-ol has been reported in Eutreptia viridis with data available.
Names & identifiers
- Preferred name
- 24-Ethylcholesta-5,7,23-trien-3-ol
- IUPAC
- (3S,9S,10R,13R,14R,17R)-17-[(Z,2R)-5-ethyl-6-methylhept-4-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
- English name
- 24-ethylcholesta-5,7,23-trien-3-ol
- Molecular formula
- C29H46O
- Molecular weight
- 410.68
Names & synonyms
24-Ecto24-Ethylcholesta-5,7,23-trien-3-ol84873-14-3(3S,9S,10R,13R,14R,17R)-17-[(Z,2R)-5-ethyl-6-methylhept-4-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-olStigmasta-5,7,23-trien-3-ol, (3beta,23Z)-(3S,9S,10R,13R,14R,17R)-17-((Z,2R)-5-ethyl-6-methylhept-4-en-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-3-olRefChem:8981924-ethylcholesta-5,7,23Z-trien-3beta-olLMST01040166Stigmasta-5,7,23-trien-3-ol, (3β,23Z)- (9CI)
Database identifiers
- CAS
84873-14-3- PubChem CID
- 6439697
Properties
Computed structural properties
- XLogP
- 8.2
- 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
- 739
Experimental & physicochemical properties
LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Stigmasterols and C24-ethyl derivatives [ST0104]
Physicochemical properties
- Boiling point
- 516.8 · 516.8±39.0 °C(Predicted)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- pka
- 14.91 · 14.91±0.70(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…