Chem
J-GLOBAL ID：200907081766316719   Nikkaji number：J1.613.409K

11-Oxomogroside IA1

11-オキソモグロシドIA1
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C36H60O9
Molecular formula furigana： C36-H60-O9
Molecular weight： 636.867
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
InChI key： FEFDBUMZKFXMGF-AFMKTRLNSA-N
SMILES： C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Systematic name  (4)：
  • [(10α,24R)-3β,25-ジヒドロキシ-9β-メチル-11-オキソ-19-ノルラノスタ-5-エン-24-イル]β-D-グルコピラノシド
  • (24R)-3β,25-ジヒドロキシ-24-(β-D-グルコピラノシルオキシ)ククルビタ-5-エン-11-オン
  • (1R,3aS,3bS,7S,9aR,9bR,11aR)-7-ヒドロキシ-1-[(2R,5R)-6-ヒドロキシ-6-メチル-5-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}ヘプタン-2-イル]-3a,6,6,9b,11a-ペンタメチル-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-10-オン
  • (1R,3aS,3bS,7S,9aR,9bR,11aR)-7-hydroxy-1-[(2R,5R)-6-hydroxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one
Other name (6)：
  • [(10α,24R)-3β,25-Dihydroxy-9β-methyl-11-oxo-19-norlanosta-5-ene-24-yl]β-D-glucopyranoside
  • 11-オキソモグロシドI-A1
  • 11-Oxomogroside I-A1
  • 11-Oxomogroside IA1
  • 11-オキソモグロシドIA1
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