Chem
J-GLOBAL ID:200907050605984212   Nikkaji number:J20.338F

Glucoverodoxin

グルコベロドキシン
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: C37H56O15
Molecular formula furigana: C37-H56-O15
Molecular weight: 740.840
InChI: InChI=1S/C37H56O15/c1-17-31(52-33-29(43)28(42)27(41)24(14-38)51-33)32(46-4)30(44)34(49-17)50-20-7-9-35(2)19(12-20)5-6-22-21(35)8-10-36(3)26(18-11-25(40)47-15-18)23(48-16-39)13-37(22,36)45/h11,16-17,19-24,26-34,38,41-45H,5-10,12-15H2,1-4H3/t17-,19-,20+,21+,22-,23+,24-,26+,27-,28+,29-,30-,31+,32-,33+,34+,35+,36-,37+/m1/s1
InChI key: SVNMSAUVRSRHGA-UUXWYOJBSA-N
SMILES: CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC=O)C3=CC(=O)OC3)C2)O[C@H](C)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • 3β-[[4-O-(β-D-グルコピラノシル)-3-O-メチル-6-デオキシ-β-D-ガラクトピラノシル]オキシ]-16β-ホルミルオキシ-14-ヒドロキシ-5β-カルダ-20(22)-エノリド
  • (1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-ヒドロキシ-7-{[(2R,3R,4R,5S,6R)-3-ヒドロキシ-4-メトキシ-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}オキサン-2-イル]オキシ}-9a,11a-ジメチル-1-(5-オキソ-2,5-ジヒドロフラン-3-イル)-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-2-イル ホルマート
  • (1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-7-{[(2R,3R,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl formate
Other name (3):
  • グルコベロドキシン
  • Glucoverodoxin
  • 3β-[[4-O-(β-D-Glucopyranosyl)-3-O-methyl-6-deoxy-β-D-galactopyranosyl]oxy]-16β-formyloxy-14-hydroxy-5β-card-20(22)-enolide
CAS registry number: 6022-99-7
Regulation number (1):
  • EINECS2278795
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