| SpectraBase Spectrum ID |
CxuA1O24DDG |
| Name |
3alpha-Ethoxycarbonyloxy-5beta-chola-6,11-dienoic acid-methylester |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H42O5 |
| InChI |
InChI=1S/C28H42O5/c1-6-32-26(30)33-20-13-15-27(3)19(17-20)8-9-21-23-11-10-22(18(2)7-12-25(29)31-5)28(23,4)16-14-24(21)27/h8-9,14,16,18-24H,6-7,10-13,15,17H2,1-5H3/t18-,19-,20-,21+,22-,23+,24+,27+,28-/m1/s1 |
| InChIKey |
ZJNYSTCLMMJTLJ-CUYCEIPOSA-N |
| Molecular Weight |
458.639 g/mol |
| SMILES |
C1C[C@]2([C@@](C[C@@]1(OC(OCC)=O)[H])(C=C[C@@]1([C@@]2(C=C[C@]2([C@]1(CC[C@@]2([C@](C)(CCC(=O)OC)[H])[H])[H])C)[H])[H])[H])C |
| SPLASH |
splash10-114i-0595000000-313cb2741f5f1ada5ab9 |
| Source of Spectrum |
APC-314-126-16 |
| Synonyms |
Methyl (R)-4-((3R,5S,8S,9S,10S,13R,14S,17R)-3-((ethoxycarbonyl)oxy)-10,13-dimethyl-2,3,4,5,8,9,10,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate |
| Wiley ID |
1787905 |
