| 2D Structure | |
| CID | 441794 |
| IUPAC Name | [(1S,4R,5R,6R,7S,8R,11R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (2S)-2-hydroxy-2-methylbutanoate |
| InChI | InChI=1S/C25H36O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-18,20,26-28,31-32H,6,8-9H2,1-5H3/t11-,12+,13+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1 |
| InChI Key | LZKVXMYVBSNXER-YZPKDWIXSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C25H36O10 |
| Molecular Weight | 496.5 |
| synonyms | ['GLAUCARUBIN', 'Glaumeba', '1448-23-3', 'NSC-14975', 'EH6H7VS52J', 'DTXSID201030656', 'NSC14975', 'MK-53', 'Kirondrin', 'RefChem:922234', 'DTXCID001515739', '(4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-3,10-dioxapentacyclo(9.8.0.01,7.04,19.013,18)nonadec-14-en-8-yl) 2-hydroxy-2-methylbutanoate', 'Picras-3-en-16-one, 11,20-epoxy-1,2,11,12-tetrahydroxy-15-(2-hydroxy-2-methyl-1-oxobutoxy)-, (1beta,2alpha,11beta,12alpha,15beta(S))-', 'Simarubaceae', 'Glarubin', 'GLAUCARUBINE', 'MLS002638406', '[(1S,4R,5R,6R,7S,8R,11R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (2S)-2-hydroxy-2-methylbutanoate', '.beta.-Kirondrin', '.alpha.-Kirondrin', 'GLAUCARUBIN [MI]', 'CHEBI:5370', 'orb3024084', 'CHEMBL1997250', 'SCHEMBL30081038', 'NCI60_001034', 'PD011569', 'C08760', 'Q27106735', 'WLN: T C66665/BQ 3AAB S AX KOV RO FUTJ C1 DQ EQ G1 MOVXQ2&1 O1 PQ QQ', 'Butyric acid, 4-ester with 1,2,3,3a.beta.,4,6a.beta.,7,7a.alpha.,10,11,11a,11b.alpha.-dodecahydro-1.alpha.,2.alpha.,4.beta.,10.alpha.,11.beta.-pentahydroxy-3.alpha.,8,11a.beta.-trimethyl-5H-1,11c.beta.-(epoxymethano)phenanthro[10,1-bc]pyran-5-one', 'PICRAS-3-EN-16-ONE, 11,20-EPOXY-1,2,11,12-TETRAHYDROXY-15-(2-HYDROXY-2-METHYL-1-OXOBUTOXY)-, (1.BETA.,2.ALPHA.,11.BETA.,12.ALPHA.,15.BETA.(S))-', 'Picras-3-en-16-one,20-epoxy-1,2,11,12-tetrahydroxy-15-(2-hydroxy-2-methyl-1-oxobutoxy)-, [1.beta.,2.alpha.,11.beta.,12.alpha.,15.beta.(S)]-'] |
From Pubchem