| SpectraBase Spectrum ID |
6Yq4aGKABSA |
| Name |
3alpha-Ethoxycarbonyloxy-5beta-chola-7,9(11)-dienoic acid-methylester |
| Alternate Name(s) |
Methyl (R)-4-((3R,5R,10S,13R,14R,17R)-3-((ethoxycarbonyl)oxy)-10,13-dimethyl-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate |
| Copyright |
Copyright © 2020-2024 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/h9,14,18-20,22-23H,6-8,10-13,15-17H2,1-5H3/t18-,19-,20-,22-,23+,27+,28-/m1/s1 |
| InChIKey |
MRPSMLDJGTUGFA-ZLFGDDLZSA-N |
| Molecular Weight |
458.639 g/mol |
| SMILES |
C1C[C@]2([C@@](C[C@@]1(OC(OCC)=O)[H])(CC=C1C2=CC[C@]2([C@]1(CC[C@@]2([C@](C)(CCC(=O)OC)[H])[H])[H])C)[H])C |
| SPLASH |
splash10-0nmi-0698100000-b67d9200d84e0a9150e7 |
| Source of Spectrum |
APC-314-126-15 |
| Wiley ID |
1787904 |
