Analyte Name

11-Oxomogroside I-E1

CAS Number

88901-40-0

Molecular Formula

C36 H60 O9

Molecular Weight

636.8562

Accurate Mass

636.4237

SMILES

C[C@]12[C@](CC=C3[C@@]2([H])CC[C@@H](C3(C)C)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)([H])[C@]5([C@](CC1=O)([C@@](CC5)([H])[C@H](C)CC[C@@H](O)C(C)(O)C)C)C

InChI

InChI=1S/C36H60O9/c1-19(9-13-25(38)33(4,5)43)20-15-16-34(6)24-12-10-21-22(36(24,8)26(39)17-35(20,34)7)11-14-27(32(21,2)3)45-31-30(42)29(41)28(40)23(18-37)44-31/h10,19-20,22-25,27-31,37-38,40-43H,9,11-18H2,1-8H3/t19-,20-,22-,23-,24+,25-,27+,28-,29+,30-,31+,34+,35-,36+/m1/s1

IUPAC

(3S,8S,9R,10R,13R,14S,17R)-17-[(1R,4R)-4,5-dihydroxy-1,5-dimethyl-hexyl]-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat