Chem
J-GLOBAL ID:201207033850422266   Nikkaji number:J3.117.691C

3α,7α-Diacetoxy-11β-(cyanoseleno)-12α-hydroxy-5β-cholane-24-oic acid ζ-lactone

3α,7α-ジアセトキシ-11β-(シアノセレノ)-12α-ヒドロキシ-5β-コラン-24-酸ζ-ラクトン
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: C29H41NO6Se
Molecular formula furigana: C29-H41-N-O6-SE
Molecular weight: 578.619
InChI: InChI=1S/C29H41NO6Se/c1-15-6-9-23(33)36-27-26(37-14-30)25-24(21-8-7-20(15)29(21,27)5)22(35-17(3)32)13-18-12-19(34-16(2)31)10-11-28(18,25)4/h15,18-22,24-27H,6-13H2,1-5H3/t15-,18+,19-,20-,21+,22-,24-,25-,26-,27+,28+,29-/m1/s1
InChI key: NYHYDGZFFNWCHJ-YWOIJPJXSA-N
SMILES: C[C@@H]1CCC(=O)O[C@H]2[C@H]([Se]C#N)[C@H]3[C@H]([C@@H]4CC[C@H]1[C@@]24C)[C@@H](C[C@@H]1C[C@@H](CC[C@]31C)OC(=O)C)OC(=O)C
Systematic name  (3):
  • 3α,7α-ジアセトキシ-11β-(シアノセレノ)-12α-ヒドロキシ-5β-コラン-24-酸ζ-ラクトン
  • (1S,2S,3R,5S,7R,10S,11S,12R,13R,18R,19R,22R)-7-(アセチルオキシ)-12-(シアノセラニル)-10,18,22-トリメチル-15-オキソ-14-オキサペンタシクロ[11.8.1.02,11.05,10.019,22]ドコサン-3-イル アセタート
  • (1S,2S,3R,5S,7R,10S,11S,12R,13R,18R,19R,22R)-7-(acetyloxy)-12-(cyanoselanyl)-10,18,22-trimethyl-15-oxo-14-oxapentacyclo[11.8.1.02,11.05,10.019,22]docosan-3-yl acetate
Other name (1):
  • 3α,7α-Diacetoxy-11β-(cyanoseleno)-12α-hydroxy-5β-cholane-24-oic acid ζ-lactone
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