| SpectraBase Spectrum ID |
35aodBekasY |
| Name |
Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12-trihydroxy-15-[[3-(2-methyloxiranyl)-1-oxo-2-bute nyl]oxy]-2,16-dioxo-, methyl ester, [11.beta.,12.alpha.,15.beta.(E)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
562.205026523 u |
| Formula |
C28H34O12 |
| InChI |
InChI=1S/C28H34O12/c1-11(26(4)9-37-26)6-16(30)40-19-21-27-10-38-28(21,24(35)36-5)22(33)18(32)20(27)25(3)8-14(29)17(31)12(2)13(25)7-15(27)39-23(19)34/h6,13,15,18-22,31-33H,7-10H2,1-5H3/b11-6+/t13-,15+,18+,19+,20+,21+,22-,25-,26?,27+,28-/m0/s1 |
| InChIKey |
XIQYXXCKSAARLG-PKJHISBLSA-N |
| Molecular Weight |
562.568 g/mol |
| SMILES |
[C@]12([C@]3([C@@]4([C@](OC([C@@]3(OC(\C=C\(C3(OC3)C)C)=O)[H])=O)(C[C@@]3([C@@]([C@]4([C@]([C@@]2(O)[H])(O)[H])[H])(CC(=O)C(=C3C)O)C)[H])[H])CO1)[H])C(=O)OC |
![Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12-trihydroxy-15-[[3-(2-methyloxiranyl)-1-oxo-2-bute nyl]oxy]-2,16-dioxo-, methyl ester, [11.beta.,12.alpha.,15.beta.(E)]-](/api/spectrum/35aodBekasY/structure.png?h=300&w=458 "Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12-trihydroxy-15-[[3-(2-methyloxiranyl)-1-oxo-2-bute nyl]oxy]-2,16-dioxo-, methyl ester, [11.beta.,12.alpha.,15.beta.(E)]-")
