Names
IUPAC name 2-(β-D-Glucopyranosyloxy)-16,20,25-trihydroxy-9-methyl-19-nor-9β,10α-lanosta-1,5-diene-3,11,22-trione
Systematic IUPAC name (1R,2R,3aS,3bS,9aR,9bR,11aR)-1-[(2R)-2,6-Dihydroxy-6-methyl-3-oxoheptan-2-yl]-2-hydroxy-3a,6,6,9b,11a-pentamethyl-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,3a,3b,4,6,9a,9b,11,11a-decahydro-1H-cyclopenta[a]phenanthrene-7,10-dione
Other names Cucurbitacin L 2-O-β-D-glucopyranoside
Identifiers
CAS NumberY
3D model (JSmol)
ChemSpiderY
PubChem CID
CompTox Dashboard (EPA)
InChI InChI=1S/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10-12,14-16H2,1-8H3/t18-,19-,21-,22+,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1YKey: QCAZYVAEXLGYLV-HPCBBFKLSA-NY
SMILES C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)[C@](C)(C(=O)CCC(C)(C)O)O)O
Properties
Chemical formulaC36H54O12
Molar mass678.816 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is YN ?) Infobox references