| SpectraBase Spectrum ID |
5rvf7T9dqG6 |
| 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@@]12CC[C@]3([C@@]4(CC[C@]5(C(C)(C)C(CC[C@@]5([C@]4(CC[C@@]3([C@]1([C@@](CC2)(C(=C)C)[H])[H])[H])[H])C)=O)[H])C)C)=O |
| SPLASH |
splash10-0f7c-1930200000-048c1eb1b72bb008d3f7 |
| Source of Spectrum |
PA-18-295-15 |
| Wiley ID |
1789529 |
