| SpectraBase Spectrum ID |
EpAhBKf5Uwf |
| Name |
(2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid |
| Alternate Name(s) |
(2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-2,4a,6a,9,9,12a,14a-heptamethyl-10-oxidanyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid
Bryonolic acid
D:c-friedoolean-8-en-29-oic acid, 3-hydroxy-, (3beta,20beta)- |
| CAS Registry Number |
24480-45-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H48O3 |
| InChI |
InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33)/t21-,22+,23-,26+,27+,28+,29+,30-/m0/s1 |
| InChIKey |
BHVJSLPLFOAMEV-FPLINDMSSA-N |
| Molecular Weight |
456.711 g/mol |
| SMILES |
O[C@]1(CC[C@@]2(C3=C([C@@]4([C@]([C@@]5(C[C@](C(=O)O)(CC[C@@]5(CC4)C)C)[H])(CC3)C)C)CC[C@]2(C1(C)C)[H])C)[H] |
| SPLASH |
splash10-0a4l-9111500000-5e0c569bdd291b937ad9 |
| Source of Spectrum |
EP-2174-0-0 |
| Wiley ID |
1389469 |
