| SpectraBase Spectrum ID |
KFUvCVDohm7 |
| Name |
Betulonic acid |
| Alternate Name(s) |
(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 |
| Molecular Weight |
454.695 g/mol |
| SMILES |
OC([C@]12[C@@]([C@]3(CC[C@@]4([C@]5(CCC(C([C@@]5(CC[C@]4([C@@]3(CC1)C)C)[H])(C)C)=O)C)[H])[H])([C@@](CC2)(C(C)=C)[H])[H])=O |
| SPLASH |
splash10-052r-0950200000-b5848c8731ffb018efc7 |
| Source of Spectrum |
QA-52-837-1 |
| Wiley ID |
1796138 |
