| SpectraBase Spectrum ID |
LgGO9xwIcgF |
| Name |
Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12-trihydroxy-15-[(5-hydroxy-3,4-dimethyl-1-oxo-2-pentenyl)oxy]-2,16-dioxo-, [11.beta.,12.alpha.,15.beta.(E)]- |
| CAS Registry Number |
78338-24-6 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H36O12 |
| InChI |
InChI=1S/C28H36O12/c1-11(12(2)9-29)6-17(31)40-20-22-27-10-38-28(22,25(36)37-5)23(34)19(33)21(27)26(4)8-15(30)18(32)13(3)14(26)7-16(27)39-24(20)35/h6,12,14,16,19-23,29,32-34H,7-10H2,1-5H3/b11-6+/t12?,14-,16+,19+,20+,21+,22+,23-,26-,27+,28-/m0/s1 |
| InChIKey |
WIFFRCHCBNUDBV-GOPQIHQISA-N |
| Molecular Weight |
564.584 g/mol |
| SMILES |
OCC(\C(=C\C(O[C@]1(C(O[C@]2([C@]34[C@@]1([C@@]([C@]([C@@]([C@@]4([C@@]1([C@](C(=C(C(C1)=O)O)C)(C2)[H])C)[H])(O)[H])(O)[H])(OC3)C(=O)OC)[H])[H])=O)[H])=O)C)C |
| SPLASH |
splash10-0007-9411100000-6766c8129122efb33263 |
| Source of Spectrum |
KC-1981-1353-0 |
| Synonyms |
2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-en-21-oic acid deriv.
Bruceantin-5'-ol
MC-31-BC
Methyl 15,16-dihydroxy-3-{[(2E)-5-hydroxy-3,4-dimethyl-2-pentenoyl]oxy}-9,13-dimethyl-4,10,11-trioxo-5,18-dioxapentacyclo[12.5.0.0(1,6).0(2,17).0(8,13)]nonadecane-17-carboxylate
Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12-trihydroxy-15-[(5-hydroxy-3,4-dimethyl-1-oxo-2-pentenyl)oxy]-2,16-dioxo-, methyl ester, [11.beta.,12.alpha.,15.beta.(E)]-
NSC 317018 |
| Wiley ID |
1407101 |
![Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12-trihydroxy-15-[(5-hydroxy-3,4-dimethyl-1-oxo-2-pentenyl)oxy]-2,16-dioxo-, [11.beta.,12.alpha.,15.beta.(E)]-](/api/spectrum/LgGO9xwIcgF/structure.png?h=300&w=458 "Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12-trihydroxy-15-[(5-hydroxy-3,4-dimethyl-1-oxo-2-pentenyl)oxy]-2,16-dioxo-, [11.beta.,12.alpha.,15.beta.(E)]-")
