| SpectraBase Spectrum ID |
CRu3UFlLeRH |
| Name |
Betulinic acid |
| Alternate Name(s) |
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H48O3 |
| InChI |
InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1 |
| InChIKey |
QGJZLNKBHJESQX-FZFNOLFKSA-N |
| Molecular Weight |
456.711 g/mol |
| SMILES |
O[C@]1(CC[C@]2([C@@](CC[C@@]3([C@@]2(CC[C@]2([C@]3(CC[C@]3(C(=O)O)[C@@]2([C@@](CC3)(C(C)=C)[H])[H])C)[H])[H])C)(C1(C)C)[H])C)[H] |
| SPLASH |
splash10-0k9j-0390400000-258670c2bbed494f11a8 |
| Source of Spectrum |
QA-49-272-7 |
| Wiley ID |
1795589 |
