| SpectraBase Spectrum ID |
ARF32Vfa2Jr |
| Name |
3-p-(E)-Coumaroyl oleanolic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H54O5 |
| InChI |
InChI=1S/C39H54O5/c1-34(2)20-22-39(33(42)43)23-21-37(6)27(28(39)24-34)13-14-30-36(5)18-17-31(35(3,4)29(36)16-19-38(30,37)7)44-32(41)15-10-25-8-11-26(40)12-9-25/h8-13,15,28-31,40H,14,16-24H2,1-7H3,(H,42,43)/b15-10+/t28-,29-,30+,31-,36-,37+,38+,39-/m0/s1 |
| InChIKey |
PSKOYUFGDWKJBO-CEDKKCENSA-N |
| Molecular Weight |
602.856 g/mol |
| SMILES |
OC([C@]12[C@](C=3[C@]([C@]4([C@@]([C@]5(CC[C@](OC(\C=C\c6ccc(cc6)O)=O)(C([C@@]5(CC4)[H])(C)C)[H])C)(CC3)[H])C)(CC1)C)(CC(CC2)(C)C)[H])=O |
| SPLASH |
splash10-0udr-0930200000-8039df04f3c694cec383 |
| Source of Spectrum |
QA-49-272-9 |
| Synonyms |
(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)-2,2,6a,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 |
1795591 |
