Chem
J-GLOBAL ID：200907004537950400   Nikkaji number：J2.521.442K

(22E,24S)-3β-[(Sodiooxy)sulfonyloxy]-24-[(sodiooxy)sulfonyloxymethyl]-5α-cholesta-5,22-diene-12α-ol

(22E,24S)-3β-[(ソジオオキシ)スルホニルオキシ]-24-[(ソジオオキシ)スルホニルオキシメチル]-5α-コレスタ-5,22-ジエン-12α-オール
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： C28H44Na2O9S2
Molecular formula furigana： C28-H44-NA2-O9-S2
Molecular weight： 634.750
InChI： InChI=1S/C28H46O9S2.2Na/c1-17(2)19(16-36-38(30,31)32)7-6-18(3)23-10-11-24-22-9-8-20-14-21(37-39(33,34)35)12-13-27(20,4)25(22)15-26(29)28(23,24)5;;/h6-8,17-19,21-26,29H,9-16H2,1-5H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2/b7-6+;;/t18-,19+,21+,22+,23-,24+,25+,26+,27+,28-;;/m1../s1
InChI key： YTLUDLFZFZYZPW-XRVGDMCWSA-L
SMILES： CC(C)[C@H](COS(=O)(=O)O[Na])/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OS(=O)(=O)O[Na]
Systematic name  (3)：
  • (22E,24S)-3β-[(ソジオオキシ)スルホニルオキシ]-24-[(ソジオオキシ)スルホニルオキシメチル]-5α-コレスタ-5,22-ジエン-12α-オール
  • (2S,3E,5R)-5-[(1R,3aS,3bR,7S,9aR,9bS,11S,11aR)-11-ヒドロキシ-9a,11a-ジメチル-7-{[(ソジオオキシ)スルホニル]オキシ}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]-2-(プロパン-2-イル)ヘキサ-3-エン-1-イル ナトリウム スルファート
  • (2S,3E,5R)-5-[(1R,3aS,3bR,7S,9aR,9bS,11S,11aR)-11-hydroxy-9a,11a-dimethyl-7-{[(sodiooxy)sulfonyl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-(propan-2-yl)hex-3-en-1-yl sodium sulfate
Other name (1)：
  • (22E,24S)-3β-[(Sodiooxy)sulfonyloxy]-24-[(sodiooxy)sulfonyloxymethyl]-5α-cholesta-5,22-diene-12α-ol
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