Chem
J-GLOBAL ID：200907016317453560   Nikkaji number：J2.031.010C

5α-Androsta-8-ene-3β-yl 2-O-β-D-galactopyranosyl-6-O-β-D-glucopyranosyl-β-D-glucopyranoside

5α-アンドロスタ-8-エン-3β-イル2-O-β-D-ガラクトピラノシル-6-O-β-D-グルコピラノシル-β-D-グルコピラノシド
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： C37H60O16
Molecular formula furigana： C37-H60-O16
Molecular weight： 760.871
InChI： InChI=1S/C37H60O16/c1-36-9-3-4-19(36)18-6-5-16-12-17(7-11-37(16,2)20(18)8-10-36)49-35-32(53-34-31(47)28(44)25(41)22(14-39)51-34)29(45)26(42)23(52-35)15-48-33-30(46)27(43)24(40)21(13-38)50-33/h16-17,19,21-35,38-47H,3-15H2,1-2H3/t16-,17-,19-,21+,22+,23+,24+,25-,26+,27-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37-/m0/s1
InChI key： GJOJADZLDOKOQW-HSJUSMIJSA-N
SMILES： C[C@@]12CCC[C@H]1C1=C(CC2)[C@@]2(C)CC[C@@H](C[C@@H]2CC1)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 5α-アンドロスタ-8-エン-3β-イル2-O-β-D-ガラクトピラノシル-6-O-β-D-グルコピラノシル-β-D-グルコピラノシド
  • (2R,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6R)-6-{[(3aR,5aS,7S,9aS,11aS)-9a,11a-ジメチル-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル]オキシ}-3,4-ジヒドロキシ-5-{[(2S,3R,4S,5R,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}オキサン-2-イル]メトキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6R)-6-{[(3aR,5aS,7S,9aS,11aS)-9a,11a-dimethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3,4-dihydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • 5α-Androsta-8-ene-3β-yl 2-O-β-D-galactopyranosyl-6-O-β-D-glucopyranosyl-β-D-glucopyranoside
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