| SpectraBase Spectrum ID |
1t5waDmGAlN |
| Name |
Bruceanol F |
| Alternate Name(s) |
Picras-2-en-21-oic acid, 15-((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-, methyl ester, (11beta,12alpha,15beta(E))- |
| CAS Registry Number |
101910-72-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H36O11 |
| InChI |
InChI=1S/C28H36O11/c1-11(2)12(3)8-17(30)39-19-21-27-10-37-28(21,25(35)36-6)23(33)18(31)20(27)26(5)14(9-16(27)38-24(19)34)13(4)7-15(29)22(26)32/h7-8,11,13-14,16,18-21,23,29,31,33H,9-10H2,1-6H3/b12-8+/t13-,14+,16-,18-,19-,20-,21-,23+,26+,27-,28+/m1/s1 |
| InChIKey |
PCKQDAAUYVCTJJ-XYGKKIDYSA-N |
| Molecular Weight |
548.585 g/mol |
| SMILES |
O[C@]1([C@@]([C@@]2([C@]3(C(C(=C[C@]([C@@]3(C[C@@]3([C@@]22[C@]([C@@]1(OC2)C(=O)OC)([C@](C(O3)=O)(OC(\C=C\(C(C)C)C)=O)[H])[H])[H])[H])(C)[H])O)=O)C)[H])(O)[H])[H] |
| SPLASH |
splash10-03di-0900000000-2938523a1acd06151710 |
| Source of Spectrum |
AJ-59-3545-3 |
| Wiley ID |
1405427 |
