| SpectraBase Spectrum ID |
2Sv7y4racN8 |
| Name |
3-Acetyl-Ursolic Acid |
| Alternate Name(s) |
(3beta,9alpha)-3-acetyl-3-hydroxyurs-12-en-28-oic acid
(1S,2R,4aS,6aR,6aS,6bR,10S,12aR,14bS)-10-ethanoyl-1,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-1,2,3,4,5,6,6a,7,8,8a,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/c1-19-11-14-31(26(34)35)17-16-29(7)22(25(31)20(19)2)9-10-24-28(6)15-18-32(36,21(3)33)27(4,5)23(28)12-13-30(24,29)8/h9,19-20,23-25,36H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23?,24-,25+,28+,29-,30-,31+,32-/m1/s1 |
| InChIKey |
NSQQMZRUOOXBOU-HZEMDLIQSA-N |
| Molecular Weight |
498.748 g/mol |
| SMILES |
O[C@@]1(C(C2CC[C@]3([C@]4(C([C@]5([C@@](C(=O)O)(CC4)CC[C@]([C@@]5(C)[H])(C)[H])[H])=CC[C@@]3([C@]2(CC1)C)[H])C)C)(C)C)C(=O)C |
| SPLASH |
splash10-001i-0000900000-c4a24e007267058da246 |
| Source of Spectrum |
X4-16-438-0 |
| Wiley ID |
1585349 |
