2D Structure | |
CID | 44406496 |
IUPAC Name | (8S,9R,10R,13R,14S,16R,17R)-17-[(2R)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione |
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/s1 |
InChI Key | QCAZYVAEXLGYLV-HPCBBFKLSA-N |
Canonical SMILES | None |
Isomeric SMILES | None |
Molecular Formula | C36H54O12 |
Molecular Weight | 678.8 |
synonyms | ['Bryoamarid', '61105-51-9', 'Bryoamaride', '(8S,9R,10R,13R,14S,16R,17R)-17-[(2R)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione', '88W3BYP3S8', '(10alpha)-2-(beta-D-Glucopyranosyloxy)-9beta-methyl-16alpha,20,25-trihydroxy-19-norlanosta-1,5-diene-3,11,22-trione', 'NS00094690', '23,24-Dihydrocucurbitacin I 2-o-D-glucoside', 'CUCURBITACIN L 2-O-.BETA.-D-GLUCOPYRANOSIDE', 'Q4981048', '19-NORLANOSTA-1,5-DIENE-3,11,22-TRIONE, 2-(.BETA.-D-GLUCOPYRANOSYLOXY)-16,20,25-TRIHYDROXY-9-METHYL-, (9.BETA.,10.ALPHA.,16.ALPHA.)-'] |
From Pubchem