| 2D Structure | |
| CID | 44584512 |
| IUPAC Name | methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17R)-10,15,16-trihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate |
| InChI | InChI=1S/C28H36O12/c1-11(25(3,4)36)7-16(30)40-19-21-27-10-38-28(21,24(35)37-6)22(33)18(32)20(27)26(5)9-14(29)17(31)12(2)13(26)8-15(27)39-23(19)34/h7,13,15,18-22,31-33,36H,8-10H2,1-6H3/b11-7+/t13-,15+,18+,19+,20+,21+,22-,26-,27+,28+/m0/s1 |
| InChI Key | KCVFVYXSNLKEHU-MBKFLBLHSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C28H36O12 |
| Molecular Weight | 564.6 |
| synonyms | ['Bruceine C', 'RefChem:917642', 'methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-3-((E)-4-hydroxy-3,4-dimethylpent-2-enoyl)oxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo(12.5.0.01,6.02,17.08,13)nonadec-9-ene-17-carboxylate', 'CHEMBL455759', 'SCHEMBL30346021'] |
From Pubchem