Chem
J-GLOBAL ID:200907086245893916
Nikkaji number:J108.035K
Digitalinum verum
ジギタリヌムベルム
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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:
C36 H56 O14
Molecular formula furigana:
C36-H56-O14
Molecular weight:
712.830
InChI:
InChI=1S/C36H56O14/c1-16-30(50-32-28(42)27(41)26(40)23(14-37)49-32)31(45-4)29(43)33(47-16)48-19-7-9-34(2)18(12-19)5-6-21-20(34)8-10-35(3)25(17-11-24(39)46-15-17)22(38)13-36(21,35)44/h11,16,18-23,25-33,37-38,40-44H,5-10,12-15H2,1-4H3/t16-,18-,19+,20+,21-,22+,23-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34+,35-,36+/m1/s1
InChI key:
CKNOLMVLQUPVMU-YMMLYESFSA-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](O)C[C@]43O)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 (4):
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]-14,16β-ジヒドロキシ-5β-カルダ-20(22)-エノリド
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]-14,16β-ジヒドロキシ-5β-カルダ-20(22)-エノリド
4-[(1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-2,3a-ジヒドロキシ-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-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]-2,5-ジヒドロフラン-2-オン
4-[(1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-2,3a-dihydroxy-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-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
Other name (6):
ジギタリン(グリコシド)
Digitalin(glycoside)
3β-[(4-O-β-D-Glucopyranosyl-3-O-methyl-6-deoxy-β-D-galactopyranosyl)oxy]-14,16β-dihydroxy-5β-card-20(22)-enolide
3β-[[4-O-(β-D-Glucopyranosyl)-3-O-methyl-6-deoxy-β-D-galactopyranosyl]oxy]-14,16β-dihydroxy-5β-card-20(22)-enolide
ジギタリヌムベルム
Digitalinum verum
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CAS registry number:
752-61-4
Regulation number (1):
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