Basic information
- CAS
143490-50-0- Standard SMILES
CC(C)[C@H]1CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]12- InChIKey
QOYZWNYLMKAORW-XKIBWVOHSA-N- Molecular formula
- C30H50O
- Average molar mass
- 426.7 g/mol
- Monoisotopic mass
- 426.38616621
Overview
from Euphorbia nematocypha Hand; structure given in first source
Names & identifiers
- Preferred name
- Nematocyphol
- IUPAC
- (1R,3aR,5aS,7aR,9S,11aR,11bR,13aS,13bS)-3a,5a,8,8,11a,13a-hexamethyl-1-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
- English name
- nematocyphol
- Molecular formula
- C30H50O
- Molecular weight
- 426.7174
Names & synonyms
Nematocyphol143490-50-0D:C-Friedolup-7-en-3-ol, (3beta,13alpha,14beta,19beta)-RefChem:165040(1R,3aR,5aS,7aR,9S,11aR,11bR,13aS,13bS)-3a,5a,8,8,11a,13a-hexamethyl-1-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-olorb1695934DTXSID20931903AKOS040753236(1R,3aR,5aS,7aR,9S,11aR,11bR,13aS,13bR)-1-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-2,3,3a,4,5,5a,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-olT33627(1R,3aR,5aS,7aR,9S,11aR,11bR,13aS,13bS)-3a,5a,8,8,11a,13a-Hexamethyl-1-(propan-2-yl)-2,3,3a,4,5,5a,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-ol3a,5a,8,8,11a,13a-Hexamethyl-1-(propan-2-yl)-2,3,3a,4,5,5a,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-ol
Database identifiers
- CAS
143490-50-0- PubChem CID
- 3083379
- DTXSID
DTXSID20931903
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 777
Chemistry & industry
Applications
DescriptionNematocyphol is triterpene constituents from Euphorbia nematocypha Hand-Mazz. Seven triterpenoids have been isolated from the roots of Euphorbia nematocypha Hand-Mazz. through chromatography on 20% AgNO3-silica gel. One of them was identified as a new compound named nematocyphol on the basis of spectral data (IR, EIMS, 1H-NMR and 13C-NMR). Its structure was deduced as IVa. Other compounds were identified as nepehinol acetate (I), germanicol acetate (II), euphol (III), tanaxastanol (Va), 24-methylenecycloartanol (VIa) and nepehinol (VIIa). These compounds were obtained for the first time from this plant.
Suppliers2 total
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Related reactions
0 records
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Compound notes
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