5.alpha.-3-[Bis(3'-carboxy-5'-chloro-4'-hydroxyphenyl)methylene]cholestane
Compound with spectra: 1 MS (GC)
![5.alpha.-3-[Bis(3'-carboxy-5'-chloro-4'-hydroxyphenyl)methylene]cholestane](/api/compound/FkMMcPCGZE9.png?ph=true&h=300&w=458 "5.alpha.-3-[Bis(3'-carboxy-5'-chloro-4'-hydroxyphenyl)methylene]cholestane")
| SpectraBase Compound ID | FkMMcPCGZE9 |
|---|---|
| InChI | InChI=1S/C42H54Cl2O6/c1-22(2)7-6-8-23(3)31-11-12-32-28-10-9-27-17-24(13-15-41(27,4)33(28)14-16-42(31,32)5)36(25-18-29(39(47)48)37(45)34(43)20-25)26-19-30(40(49)50)38(46)35(44)21-26/h18-23,27-28,31-33,45-46H,6-17H2,1-5H3,(H,47,48)(H,49,50)/t23-,27+,28+,31-,32+,33+,41+,42-/m1/s1 |
| InChIKey | QMQKZUNDPJSAQO-BYBFVVQMSA-N |
| Mol Weight | 725.8 g/mol |
| Molecular Formula | C42H54Cl2O6 |
| Exact Mass | 724.329745 g/mol |
| Enantiomer InChIKey | QMQKZUNDPJSAQO-PKUAGALYSA-N |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | E1-38-448-6 |
- 5-[(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylidene]methyl]-3-chloranyl-2-oxidanyl-benzoic acid
- 5-[(3-carboxy-5-chloro-4-hydroxy-phenyl)-[(5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylidene]methyl]-3-chloro-2-hydroxy-benzoic acid
- 5-[(3-carboxy-5-chloro-4-hydroxyphenyl)-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylidene]methyl]-3-chloro-2-hydroxybenzoic acid