| SpectraBase Spectrum ID |
1EsTGHrNo1I |
| Name |
2alpha,3alpha-dihydroxyurs-12-en-28-oic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H48O4 |
| InChI |
InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1 |
| InChIKey |
HFGSQOYIOKBQOW-RFMFWNHYSA-N |
| Molecular Weight |
472.710 g/mol |
| SMILES |
OC([C@@]12CC[C@]([C@@]([C@]2(C=2[C@]([C@@]3(CC[C@]4(C([C@@]([C@@](C[C@@]4([C@]3(CC2)[H])C)(O)[H])(O)[H])(C)C)[H])C)(CC1)C)[H])(C)[H])(C)[H])=O |
| SPLASH |
splash10-0002-0090000000-73fe83cf641e89c24c69 |
| Source of Spectrum |
QA-33-333-10 |
| Synonyms |
(1S,2R,4aS,6aS,6bR,8aR,10S,11R,12aR,12bR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid |
| Wiley ID |
1794949 |
