3-Hydroxy-16,23-epoxylanosta-8,24-dien-22-yl acetate
Basic information
- CAS
10178-38-8- Standard SMILES
CC(=O)OC1C(C=C(C)C)OC2CC3(C)C4=C(CCC3(C)C2C1C)C1(C)CCC(O)C(C)(C)C1CC4- InChIKey
CPTYJLQLCCZXEV-UHFFFAOYSA-N- Molecular formula
- C32H50O4
- Average molar mass
- 498.7 g/mol
- Monoisotopic mass
- 498.37091007
Names & identifiers
- Preferred name
- 3-Hydroxy-16,23-epoxylanosta-8,24-dien-22-yl acetate
- IUPAC
- [17-hydroxy-2,8,10,14,18,18-hexamethyl-6-(2-methylprop-1-enyl)-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-1(13)-en-7-yl] acetate
- English name
- (22R,23S)-16α,23-Epoxy-5α-lanosta-8,24-diene-3β,22-diol 22-acetate
- Molecular formula
- C32H50O4
- Molecular weight
- 498.75
Names & synonyms
3-hydroxy-16,23-epoxylanosta-8,24-dien-22-yl acetate(22R,23S)-16alpha,23-Epoxy-5alpha-lanosta-8,24-diene-3beta,22-diol 22-acetate[17-hydroxy-2,8,10,14,18,18-hexamethyl-6-(2-methylprop-1-enyl)-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-1(13)-en-7-yl] acetate3-EpiechinodolNSC244429EPIECHINODOL,3-SCHEMBL30177605DTXSID30295700NSC104467NSC-104467NSC-24442938301-89-2
Show more names
Echinodol(22R,23S)-16α,23-Epoxy-5α-lanosta-8,24-diene-3β,22-diol 22-acetateLanosta-8,24-diene-3,22-diol, 16,23-epoxy-, 22-acetate, (3β,16α,22R,23S)- (9CI)
Database identifiers
- CAS
10178-38-8、38301-89-2- PubChem CID
- 266459
- DTXSID
DTXSID30295700
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 988
Physicochemical properties
- Boiling point
- 558.3 · 558.3±50.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 15.15 · 15.15±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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