Chem
J-GLOBAL ID：200907059587816479
Nikkaji number：J2.459.880B
24-Oxo-24-[[2-(sodiooxysulfonyl)ethyl]amino]-3α,15α-dihydroxy-5β-cholane
24-オキソ-24-[[2-(ソジオオキシスルホニル)エチル]アミノ]-3α,15α-ジヒドロキシ-5β-コラン
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： C26H44NNaO6S
Molecular formula furigana： C26-H44-N-NA-O6-S
Molecular weight： 521.690
InChI：
InChI=1S/C26H45NO6S.Na/c1-16(4-7-23(30)27-12-13-34(31,32)33)21-15-22(29)24-19-6-5-17-14-18(28)8-10-25(17,2)20(19)9-11-26(21,24)3;/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17-,18-,19-,20+,21-,22+,24-,25+,26-;/m1./s1
InChI key：
PGWLGMRJVMBWQG-VQVVEDQESA-M
SMILES：
C[C@H](CCC(=O)NCCS(=O)(=O)O[Na])[C@H]1C[C@H](O)[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name (3)：
- 24-オキソ-24-[[2-(ソジオオキシスルホニル)エチル]アミノ]-3α,15α-ジヒドロキシ-5β-コラン
- ナトリウム 2-[(4R)-4-[(1R,3S,3aS,3bR,5aR,7R,9aS,9bS,11aR)-3,7-ジヒドロキシ-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]エタン-1-スルホナート
- sodium 2-[(4R)-4-[(1R,3S,3aS,3bR,5aR,7R,9aS,9bS,11aR)-3,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethane-1-sulfonate
- 24-Oxo-24-[[2-(sodiooxysulfonyl)ethyl]amino]-3α,15α-dihydroxy-5β-cholane
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