| SpectraBase Spectrum ID |
C2o8iZ6V9Yu |
| Name |
3.beta.,4'-Diacetoxy-24-(trans)-ferulyloxy-urs-12-en-28-oic Acid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C44H60O9 |
| InChI |
InChI=1S/C44H60O9/c1-26-16-21-44(39(48)49)23-22-42(7)31(38(44)27(26)2)12-14-35-40(5)19-18-36(53-29(4)46)41(6,34(40)17-20-43(35,42)8)25-51-37(47)15-11-30-10-13-32(52-28(3)45)33(24-30)50-9/h10-13,15,24,26-27,34-36,38H,14,16-23,25H2,1-9H3,(H,48,49)/b15-11+/t26-,27+,34?,35-,36+,38+,40+,41?,42-,43-,44+/m1/s1 |
| InChIKey |
PKDZMDPCVZKZBJ-SSOVHJSYSA-N |
| Molecular Weight |
732.955 g/mol |
| SMILES |
OC([C@]12[C@](C=3[C@]([C@@]4(CCC5C(COC(\C=C\c6cc(OC)c(cc6)OC(=O)C)=O)(C)[C@](CC[C@@]5([C@]4(CC3)[H])C)(OC(=O)C)[H])C)(CC1)C)([C@]([C@@](CC2)(C)[H])(C)[H])[H])=O |
| SPLASH |
splash10-005a-0940000000-92aed396e4b4f9c78924 |
| Source of Spectrum |
X2-50-72-7 |
| Synonyms |
(1S,2R,4aS,6aS,6bR,10S,12aR,12bR,14bS)-10-(acetyloxy)-9-[({(2E)-3-[4-(acetyloxy)-3-methoxyphenyl]-2-propenoyl}oxy)methyl]-1,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenecarboxylic acid |
| Wiley ID |
1602141 |
