| 2D Structure | |
| CID | 16093748 |
| IUPAC Name | [(E,6R)-6-hydroxy-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-sulfooxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en-2-yl] acetate |
| InChI | InChI=1S/C32H46O11S/c1-17(33)42-27(2,3)13-12-23(35)32(9,38)25-20(34)15-29(6)22-11-10-18-19(31(22,8)24(36)16-30(25,29)7)14-21(43-44(39,40)41)26(37)28(18,4)5/h10,12-13,19-22,25,34,38H,11,14-16H2,1-9H3,(H,39,40,41)/b13-12+/t19-,20-,21+,22+,25+,29+,30-,31+,32+/m1/s1 |
| InChI Key | OCFTZYJLDGPTQM-JEOULVOFSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C32H46O11S |
| Molecular Weight | 638.8 |
| synonyms | ['cucurbitacin B 2-sulfate', '((E,6R)-6-hydroxy-6-((2S,8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-sulfooxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta(a)phenanthren-17-yl)-2-methyl-5-oxohept-3-en-2-yl) acetate', '[(E,6R)-6-hydroxy-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-sulfooxy-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en-2-yl] acetate', '923262-06-0'] |
From Pubchem