Chem
J-GLOBAL ID：200907025759227207   Nikkaji number：J1.108.395A

Isogosterone C

イソゴステロンC
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： C31H46O8
Molecular formula furigana： C31-H46-O8
Molecular weight： 546.701
InChI： InChI=1S/C31H46O8/c1-18(2)8-11-26(37-20(4)32)19(3)31(36)15-14-30(39-31)24-10-9-22-16-23(34)12-13-28(22,6)25(24)17-27(29(30,7)35)38-21(5)33/h12-13,16,18-19,24-27,35-36H,8-11,14-15,17H2,1-7H3/t19?,24-,25+,26?,27+,28+,29+,30-,31+/m1/s1
InChI key： PVZHSMTYGAKBDL-GPMQASIMSA-N
SMILES： CC(C)CCC(OC(=O)C)C(C)[C@]1(O)CC[C@@]2(O1)[C@@H]1CCC3=CC(=O)C=C[C@]3(C)[C@H]1C[C@H](OC(=O)C)[C@]2(C)O
Systematic name  (3)：
  • (4aR,8R,5′S)-4aβ,7-ジメチル-6α-アセトキシ-5′,7α-ジヒドロキシ-5′-(1,5-ジメチル-2-アセトキシヘキシル)-4′,4bα,5,5′,6,7,9,10-オクタヒドロスピロ[フェナントレン-8(8aβH),2′(3′H)-フラン]-2(4aH)-オン
  • 2-[(2R,2'S,3'S,4'aS,4'bR,5S,10'aR)-3'-(アセチルオキシ)-2',5-ジヒドロキシ-2',4'b-ジメチル-7'-オキソ-3',4',4'a,4'b,7',9',10',10'a-オクタヒドロ-2'H-スピロ[オキソラン-2,1'-フェナントレン]-5-イル]-6-メチルヘプタン-3-イル アセタート
  • 2-[(2R,2'S,3'S,4'aS,4'bR,5S,10'aR)-3'-(acetyloxy)-2',5-dihydroxy-2',4'b-dimethyl-7'-oxo-3',4',4'a,4'b,7',9',10',10'a-octahydro-2'H-spiro[oxolane-2,1'-phenanthren]-5-yl]-6-methylheptan-3-yl acetate
Other name (3)：
  • (4aR,8R,5′S)-4aβ,7-Dimethyl-6α-acetoxy-5′,7α-dihydroxy-5′-(1,5-dimethyl-2-acetoxyhexyl)-4′,4bα,5,5′,6,7,9,10-octahydrospiro[phenanthrene-8(8aβH),2′(3′H)-furan]-2(4aH)-one
  • Isogosterone C
  • イソゴステロンC
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