(19S,23E)-5β,19-Epoxy-19,25-dimethoxycucurbita-6,23-dien-3β-ol
Description
(19S,23E)-5β,19-Epoxy-19,25-dimethoxycucurbita-6,23-dien-3β-ol is isolated from the fruits of Momordica charantia.
Synonyms
19-Norlanosta-6,23-diene-9-carboxaldehyde, 3,5-dihydroxy-25-methoxy-, cyclic 9,5-[(S)-methyl acetal], (3β,5β,9β,10α,23E)-; 19-Norlanosta-6,23-diene-9-carboxaldehyde, 3,5-dihydroxy-25-methoxy-, cyclic 9,5-(methyl acetal), [3β,5β,9β(S),10α,23E]-; 5,19-Epoxy-19S,25-dimethoxycucurbita-6,23-dien-3-ol
IUPAC Name
(1R,4S,5S,8R,9R,12S,13S,16S,19S)-19-methoxy-8-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol
Molecular Formula
C32H52O4
Canonical SMILES
CC(CC=CC(C)(C)OC)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)O)OC4OC)C)C
InChI
InChI=1S/C32H52O4/c1-21(11-10-16-27(2,3)35-9)22-14-17-30(7)23-15-18-32-24(12-13-25(33)28(32,4)5)31(23,26(34-8)36-32)20-19-29(22,30)6/h10,15-16,18,21-26,33H,11-14,17,19-20H2,1-9H3/b16-10+/t21-,22-,23+,24+,25+,26+,29-,30+,31+,32-/m1/s1
InChIKey
PCHCXXYKHCXPSQ-WDBGUTRWSA-N
Boiling Point
566.8±50.0°C at 760 mmHg
Solubility
Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate
pKa
14.98±0.70(Predicted)