| 2D Structure | |
| CID | 5315510 |
| IUPAC Name | (1R,2R,3R,6R,8S,11S,12S,13S,14R,15R,16S,17R)-2,3,11,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-4-one |
| InChI | InChI=1S/C20H28O9/c1-7-4-9(21)13(23)17(2)8(7)5-10-19-6-28-18(3,14(24)11(22)12(17)19)20(19,27)15(25)16(26)29-10/h4,8-15,21-25,27H,5-6H2,1-3H3/t8-,9-,10+,11+,12+,13+,14-,15-,17-,18+,19+,20+/m0/s1 |
| InChI Key | ZBXITHPYBBXZRG-QYUWQHSUSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C20H28O9 |
| Molecular Weight | 412.4 |
| synonyms | ['Bruceine E', '21586-90-3', '(1R,2R,3R,6R,8S,11S,12S,13S,14R,15R,16S,17R)-2,3,11,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-4-one', '(1R,2R,3R,6R,8S,11S,12S,13S,14R,15R,16S,17R)-2,3,11,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo(12.5.0.01,6.02,17.08,13)nonadec-9-en-4-one', 'Picras-3-en-16-one, 13,20-epoxy-1,2,11,12,14,15-hexahydroxy-, (1beta,2alpha,11beta,12alpha,15beta)-', '(1beta,2alpha,11beta,12alpha,15beta)-13,20-Epoxy-1,2,11,12,14,15-hexahydroxypicras-3-en-16-one', 'orb1297540', 'CHEMBL2037038', 'HY-N3015', 'AKOS040760152', 'FS-6884', 'DA-61913', 'CS-0022970'] |
From Pubchem