| 2D Structure | |
| CID | 161496 |
| IUPAC Name | methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-acetyloxy-10,15,16-trihydroxy-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/C23H28O11/c1-8-10-5-12-22-7-32-23(20(30)31-4,17(22)15(19(29)34-12)33-9(2)24)18(28)14(27)16(22)21(10,3)6-11(25)13(8)26/h10,12,14-18,26-28H,5-7H2,1-4H3/t10-,12+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1 |
| InChI Key | YDWODLQEUPYKGJ-LZFWDZGBSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C23H28O11 |
| Molecular Weight | 480.5 |
| synonyms | ['Bruceine B', '25514-29-8', 'methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-acetyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate', 'methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-acetyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo(12.5.0.01,6.02,17.08,13)nonadec-9-ene-17-carboxylate', 'RefChem:925599', 'Methyl (11beta,12alpha,15beta)-15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate', 'BRUCEIN B', 'CHEMBL140809', 'NSC-132793', 'NSC 132793', 'CHEBI:3190', 'orb3027291', 'GLXC-19177', 'HY-N3013', 'AKOS030573658', 'EBC-618516', 'MS-28937', 'CS-0022967', 'C08751', 'G17877', 'Q27105981', 'methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-(acetyloxy)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0^{1,6}.0^{2,17}.0^{8,13}]nonadec-9-ene-17-carboxylate', 'Picras-3-en-21-oic acid, 15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)-'] |
From Pubchem