Chem
J-GLOBAL ID：200907041537513355   Nikkaji number：J1.108.396J

Isogosterone D

イソゴステロンD
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： C31H44O7
Molecular formula furigana： C31-H44-O7
Molecular weight： 528.686
InChI： InChI=1S/C31H44O7/c1-18(2)8-11-26(35-20(4)32)19(3)31-15-14-30(38-31)24-10-9-22-16-23(34)12-13-28(22,6)25(24)17-27(36-21(5)33)29(30,7)37-31/h12-13,16,18-19,24-27H,8-11,14-15,17H2,1-7H3/t19?,24-,25+,26?,27+,28+,29+,30-,31+/m1/s1
InChI key： VZAQLESCSMZQIM-GPMQASIMSA-N
SMILES： CC(C)CCC(OC(=O)C)C(C)[C@]12CC[C@@]3(O1)[C@@H]1CCC4=CC(=O)C=C[C@]4(C)[C@H]1C[C@H](OC(=O)C)[C@]3(C)O2
Systematic name  (3)：
  • (2R)-10aβ,12aβ-ジメチル-12α-アセトキシ-2-(2-アセトキシ-1,5-ジメチルヘキシル)-3,4,4a,4bβ,5,6,10bα,11,12,12a-デカヒドロ-2α,4aα-エポキシ-2H-フェナントロ[2,1-b]ピラン-8(10aH)-オン
  • 2-[(1R,2R,10R,11S,13S,14S,16R)-13-(アセチルオキシ)-10,14-ジメチル-7-オキソ-15,19-ジオキサペンタシクロ[14.2.1.01,14.02,11.05,10]ノナデカ-5,8-ジエン-16-イル]-6-メチルヘプタン-3-イル アセタート
  • 2-[(1R,2R,10R,11S,13S,14S,16R)-13-(acetyloxy)-10,14-dimethyl-7-oxo-15,19-dioxapentacyclo[14.2.1.01,14.02,11.05,10]nonadeca-5,8-dien-16-yl]-6-methylheptan-3-yl acetate
Other name (3)：
  • (2R)-10aβ,12aβ-Dimethyl-12α-acetoxy-2-(2-acetoxy-1,5-dimethylhexyl)-3,4,4a,4bβ,5,6,10bα,11,12,12a-decahydro-2α,4aα-epoxy-2H-phenanthro[2,1-b]pyran-8(10aH)-one
  • Isogosterone D
  • イソゴステロンD
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