| SpectraBase Spectrum ID |
J408TnsC9YE |
| Name |
Acetylleanolic acid |
| Alternate Name(s) |
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H50O4 |
| InChI |
InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1 |
| InChIKey |
RIXNFYQZWDGQAE-DFHVBEEKSA-N |
| Molecular Weight |
498.748 g/mol |
| SMILES |
OC([C@@]12CC[C@@]3(C([C@@]1(CC(C)(C)CC2)[H])=CC[C@@]1([C@]2(CC[C@@](C([C@@]2(CC[C@@]31C)[H])(C)C)(OC(=O)C)[H])C)[H])C)=O |
| SPLASH |
splash10-0002-0190000000-753c62625f26c1dd2d7d |
| Source of Spectrum |
QA-30-187-3 |
| Wiley ID |
860847 |
