| SpectraBase Spectrum ID |
99B2Jq2dMuN |
| Name |
3alpha,11alpha-Dihydroxylup-20(29)-en-28-oic acid |
| Alternate Name(s) |
(1R,3aS,5aR,5bR,7aR,9R,11aS,11bR,12R,13aR,13bR)-9,12-dihydroxy-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 |
C30H48O4 |
| InChI |
InChI=1S/C30H48O4/c1-17(2)18-8-13-30(25(33)34)15-14-28(6)19(23(18)30)16-20(31)24-27(5)11-10-22(32)26(3,4)21(27)9-12-29(24,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22+,23+,24+,27-,28+,29+,30-/m0/s1 |
| InChIKey |
CQYNGKPLHGNVHC-LEBDGTJJSA-N |
| Molecular Weight |
472.710 g/mol |
| SMILES |
OC([C@]12[C@@]([C@@]3([C@]([C@@]4(CC[C@@]5([C@@]([C@]4([C@@](C3)(O)[H])[H])(CC[C@](C5(C)C)(O)[H])C)[H])C)(CC1)C)[H])([C@@](CC2)(C(C)=C)[H])[H])=O |
| SPLASH |
splash10-0fa9-0790100000-29a8c4c8deabf65540e2 |
| Source of Spectrum |
QA-49-430-9 |
| Wiley ID |
1795654 |
