Chem
J-GLOBAL ID：200907064242454713   Nikkaji number：J14.927F

Cyasteron

シアステロン
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： C29H44O8
Molecular formula furigana： C29-H44-O8
Molecular weight： 520.663
InChI： InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15+,16-,17-,19-,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1
InChI key： NEFYSBQJYCICOG-YSEUJXISSA-N
SMILES： C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • (22R,24S,25S,28R)-2β,3β,14,20,22,28-ヘキサヒドロキシ-6-オキソ-5β-スチグマスタ-7-エン-26-酸γ-ラクトン
  • (3S,4S,5R)-4-[(2R,3R)-3-[(1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,7,8-トリヒドロキシ-9a,11a-ジメチル-5-オキソ-1H,2H,3H,3aH,5H,5aH,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]-2,3-ジヒドロキシブチル]-3,5-ジメチルオキソラン-2-オン
  • (3S,4S,5R)-4-[(2R,3R)-3-[(1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2,3-dihydroxybutyl]-3,5-dimethyloxolan-2-one
Other name (4)：
  • シアステロン
  • Cyasteron
  • Cyasterone
  • (22R,24S,25S,28R)-2β,3β,14,20,22,28-Hexahydroxy-6-oxo-5β-stigmast-7-en-26-oic acid γ-lactone
CAS registry number： 17086-76-9
Regulation number (1)：
  • WJ2510000
KEGG COMPOUND： C08816
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