| SpectraBase Spectrum ID |
LboZN80dnq9 |
| Name |
3-Oxo-20(29)-lupen-28-oic acid |
| Alternate Name(s) |
Betulonic acid
(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-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 |
C30H46O3 |
| InChI |
InChI=1S/C30H46O3/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/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1 |
| InChIKey |
SLJTWDNVZKIDAU-SVAFSPIFSA-N |
| Literature Reference DOI |
10.1002/jccs.200000074 |
| Molecular Weight |
454.695 g/mol |
| SMILES |
OC([C@@]12CC[C@@]3([C@](CC[C@]4([C@]3(CC[C@@]3([C@@]4(CCC(C3(C)C)=O)C)[H])C)[H])([C@]1([C@@](CC2)(C(C)=C)[H])[H])[H])C)=O |
| SPLASH |
splash10-001r-9100000000-16584e89935c2f81f24b |
| Source of Spectrum |
QA-47-559-12 |
| Wiley ID |
1795119 |
