| SpectraBase Spectrum ID |
K4PJ7dOjPuF |
| Name |
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H50O3 |
| InChI |
InChI=1S/C31H50O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1 |
| InChIKey |
BTXWOKJOAGWCSN-JBYJGCOVSA-N |
| Molecular Weight |
470.738 g/mol |
| SMILES |
O[C@@]1(C([C@@]2(CC[C@]3([C@]4(C([C@@]5(CC(C)(C)CC[C@@]5(CC4)C(=O)OC)[H])=CC[C@@]3([C@]2(CC1)C)[H])C)C)[H])(C)C)[H] |
| SPLASH |
splash10-0h90-0190600000-23c79f981588985a676f |
| Source of Spectrum |
X4-21-634-0 |
| Synonyms |
Methyl oleanolate
Methyl (3beta)-3-hydroxyolean-12-en-28-oate
Methyl (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Methyl (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
| Wiley ID |
1585874 |
