| 2D Structure | |
| CID | 5459275 |
| IUPAC Name | [(E,6R)-6-hydroxy-6-[(8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en-2-yl] acetate |
| InChI | InChI=1S/C38H54O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-14,20-21,23-24,27-30,32,39,41,44-46,48H,11,15-17H2,1-9H3/b13-12+/t20-,21-,23?,24+,27?,28?,29?,30+,32?,35+,36-,37+,38+/m1/s1 |
| InChI Key | QKEJRKXVLGOJMB-CAQZOKASSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C38H54O13 |
| Molecular Weight | 718.8 |
| synonyms | ['Cucurbitacin E 2-O-glucoside', 'NSC680118', 'SCHEMBL10307347', 'NSC-680118'] |
From Pubchem