| SpectraBase Spectrum ID |
APtMhOjDamE |
| Name |
Acetylursolic acid |
| Alternate Name(s) |
(1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-acetyl-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-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-QGTAJZEVSA-N |
| Molecular Weight |
498.748 g/mol |
| SMILES |
O[C@@]1(C([C@@]2(CC[C@]3([C@@]4(CC[C@]5(C(=O)O)[C@](C4=CC[C@@]3([C@]2(CC1)C)[H])([C@]([C@@](CC5)(C)[H])(C)[H])[H])C)C)[H])(C)C)C(=O)C |
| SPLASH |
splash10-0005-0490100000-034b3ac3057ffbe7fe1f |
| Source of Spectrum |
QA-33-332-8 |
| Wiley ID |
1794955 |
