Chem
J-GLOBAL ID：200907071031834796
Nikkaji number：J954.074A
N-[3α-Hydroxy-7β-(2-acetylamino-2-deoxy-β-D-glucopyranosyloxy)-24-oxo-5β-cholane-24-yl]glycine
N-[3α-ヒドロキシ-7β-(2-アセチルアミノ-2-デオキシ-β-D-グルコピラノシルオキシ)-24-オキソ-5β-コラン-24-イル]グリシン
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
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
Molecular formula： C34H56N2O10
Molecular formula furigana： C34-H56-N2-O10
Molecular weight： 652.826
InChI：
InChI=1S/C34H56N2O10/c1-17(5-8-26(40)35-15-27(41)42)21-6-7-22-28-23(10-12-34(21,22)4)33(3)11-9-20(39)13-19(33)14-24(28)45-32-29(36-18(2)38)31(44)30(43)25(16-37)46-32/h17,19-25,28-32,37,39,43-44H,5-16H2,1-4H3,(H,35,40)(H,36,38)(H,41,42)/t17-,19+,20-,21-,22+,23+,24+,25-,28+,29-,30-,31-,32-,33+,34-/m1/s1
InChI key：
LUKHXDHUMKXYJA-AZAFIUIXSA-N
SMILES：
C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)C
Systematic name (3)：
- N-[3α-ヒドロキシ-7β-(2-アセチルアミノ-2-デオキシ-β-D-グルコピラノシルオキシ)-24-オキソ-5β-コラン-24-イル]グリシン
- 2-[(4R)-4-[(1R,3aS,3bR,4S,5aS,7R,9aS,9bS,11aR)-4-{[(2R,3R,4R,5S,6R)-3-アセトアミド-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-7-ヒドロキシ-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]ペンタンアミド]酢酸
- 2-[(4R)-4-[(1R,3aS,3bR,4S,5aS,7R,9aS,9bS,11aR)-4-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]acetic acid
- N-[3α-Hydroxy-7β-(2-acetylamino-2-deoxy-β-D-glucopyranosyloxy)-24-oxo-5β-cholane-24-yl]glycine
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