| SpectraBase Spectrum ID |
J7L8aJLU1Nu |
| Name |
Ceanothenic acid |
| Alternate Name(s) |
(1R,3aS,5aS,5bR,7aS,10aS,10bR,12aR,12bR)-5b,8,8,10a-tetramethyl-1-(prop-1-en-2-yl)octadecahydrodicyclopenta[a,i]phenanthrene-3a,5a-dicarboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H44O4 |
| InChI |
InChI=1S/C29H44O4/c1-17(2)18-9-12-28(23(30)31)15-16-29(24(32)33)19(22(18)28)7-8-21-26(5)14-13-25(3,4)20(26)10-11-27(21,29)6/h18-22H,1,7-16H2,2-6H3,(H,30,31)(H,32,33)/t18-,19+,20-,21+,22+,26-,27+,28-,29+/m0/s1 |
| InChIKey |
LKFVRYFEWDCBGC-AKDRKZOISA-N |
| Literature Reference DOI |
10.1002/jccs.200400124 |
| Molecular Weight |
456.667 g/mol |
| SMILES |
OC([C@@]12CC[C@]([C@@]2([C@]2(CC[C@]3([C@]([C@]2(C(O)=O)CC1)(CC[C@@]1([C@@]3(CCC1(C)C)C)[H])C)[H])[H])[H])(C(=C)C)[H])=O |
| SPLASH |
splash10-05fu-3905200000-ad9fa5ce2292b0959a51 |
| Source of Spectrum |
QA-51-832-11 |
| Wiley ID |
1795959 |
