| 2D Structure | |
| CID | 5281315 |
| IUPAC Name | [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate |
| InChI | InChI=1S/C32H46O9/c1-17(34)41-27(2,3)12-11-23(37)31(8,40)25-21(36)14-29(6)22-10-9-18-19(13-20(35)26(39)28(18,4)5)32(22,16-33)24(38)15-30(25,29)7/h9,11-12,19-22,25,33,35-36,40H,10,13-16H2,1-8H3/b12-11+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1 |
| InChI Key | IHTCCHVMPGDDSL-IVNGUWCNSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C32H46O9 |
| Molecular Weight | 574.7 |
| synonyms | ['Cucurbitacin A', '6040-19-3', 'Cucurbitacine A', 'NSC 94743', 'UNII-83859MTO77', 'NSC-94743', '[(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate', '83859MTO77', '19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-(hydroxymethyl)-, (2beta,9beta,10alpha,16alpha,23E)-', '19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-(hydroxymethyl)-, (2.beta.,9.beta.,10.alpha.,16.alpha.,23E)-', '((E,6R)-6-((2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta(a)phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl) acetate', 'NSC94743', 'CHEBI:3940', 'Cucurbitacine A; NSC 94743', 'CucurbitacinA', 'CHEMBL455518', 'orb1684677', 'SCHEMBL10307352', 'DTXSID801317236', 'GAA04019', 'HY-N4175', 'LMST01010103', 'AKOS040760353', 'FS-6973', 'DA-62530', 'CS-0032364', 'C08793', 'Q27106258', '19-Norlanosta-5,11,22-trione, 2,16,20,25-tetrahydroxy-9-(hydroxymethyl)-, 25-acetate', '[(E,5R)-5-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate', '19-Nor-9.beta.,23-diene-3,11,22-trione, 2.beta.,16.alpha.,20,25-tetrahydroxy-9-(hydroxymethyl)-,25-acetate, (E)-', '19-Norlanosta-5,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-(hydroxymethyl)-,(2.beta.,9.beta.,10.alpha.,16.alpha.,23E)-'] |
From Pubchem