| SpectraBase Spectrum ID |
IRHlNxno4ex |
| 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)]- |
| CAS Registry Number |
78338-23-5 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
O[C@]1([C@@]([C@@]2([C@@]3([C@](C(=C(C(C3)=O)O)C)(C[C@@]3([C@@]22[C@]([C@@]1(OC2)C(=O)OC)([C@](C(O3)=O)(OC(\C=C\(C1(OC1)C)C)=O)[H])[H])[H])[H])C)[H])(O)[H])[H] |
| SPLASH |
splash10-0w4j-1931100000-5f32be90ec44ceaf92ba |
| 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 4',5'-epoxide
Bruceantin, 4',5'-epoxy
MC-27-BA
Methyl 15,16-dihydroxy-9,13-dimethyl-3-{[(2E)-3-(2-methyl-2-oxiranyl)-2-butenoyl]oxy}-4,10,11-trioxo-5,18-dioxapentacyclo[12.5.0.0(1,6).0(2,17).0(8,13)]nonadecane-17-carboxylate
NSC 317019 |
| Wiley ID |
1406885 |
![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/IRHlNxno4ex/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)]-")
