11-Oxomogroside I A1

Product Specifications

CAS Number

476468-78-7

Synonyms

(3S,8S,9R,10R,13R,14S,17R)-3-hydroxy-17-((2R,5R)-6-hydroxy-6-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)heptan-2-yl)-4,4,9,13,14-pentamethyl-1,2,3,4,7,8,9,10,12,13,14,15,16,17-tetradecahydro-11H-cyclopenta[a]phenanthren-11-one; (3beta,9beta,10alpha,24R)-24-(beta-D-Glucopyranosyloxy)-3,25-dihydroxy-9-methyl-19-norlanost-5-en-11-one; 19-Norlanost-5-en-11-one, 24-(β-D-glucopyranosyloxy)-3,25-dihydroxy-9-methyl-, (3β,9β,10α,24R)- (9CI, ACI); (3β,9β,10α,24R)-24-(β-D-Glucopyranosyloxy)-3,25-dihydroxy-9-methyl-19-norlanost-5-en-11-one (ACI)

Hazard Statement

No Data Available

Smiles

C[C@]12[C@@]3([H])[C@]([C@@]4([H])C(C(C)([C@H](CC4)O)C)=CC3)(C(C[C@@]1([C@@](CC2)([H])[C@H](C)CC[C@H](C(C)(O)C)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)CO)C)=O)C

Molecular Formula

C36 H60 O9

Molecular Weight

636.8562

InChI

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

Additionnal Information

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