Chem
J-GLOBAL ID：201107037486196407   Nikkaji number：J2.917.850J

Ceramicine H

セラミシンH
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： C31H38O6
Molecular formula furigana： C31-H38-O6
Molecular weight： 506.639
InChI： InChI=1S/C31H38O6/c1-7-17(2)27(34)37-23-14-21-30(5,20-9-8-19(29(20,23)4)18-11-13-35-15-18)26(33)24-25-28(3,16-36-24)12-10-22(32)31(21,25)6/h7,9-13,15,19,21,23-26,33H,8,14,16H2,1-6H3/t19-,21-,23-,24+,25-,26+,28-,29+,30-,31-/m0/s1
InChI key： WFXNVXGYMFFBCW-NKZIMEDPSA-N
SMILES： CC=C(C)C(=O)O[C@H]1C[C@H]2[C@@](C)([C@H](O)[C@@H]3OC[C@]4(C)C=CC(=O)[C@@]2(C)[C@@H]34)C2=CC[C@@H](c3ccoc3)[C@@]12C
Systematic name  (3)：
  • (4R)-1-オキソ-7α-ヒドロキシ-4,8-ジメチル-6α,4α-(エポキシメタノ)-12α-(2-メチル-2-ブテノイルオキシ)-17α-(3-フラニル)-5α-アンドロスタン-2,14-ジエン
  • (1R,2S,4S,5R,6S,10R,11S,12R,15R,19S)-6-(フラン-3-イル)-11-ヒドロキシ-1,5,10,15-テトラメチル-18-オキソ-13-オキサペンタシクロ[10.6.1.02,10.05,9.015,19]ノナデカ-8,16-ジエン-4-イル 2-メチルブタ-2-エノアート
  • (1R,2S,4S,5R,6S,10R,11S,12R,15R,19S)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-18-oxo-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-8,16-dien-4-yl 2-methylbut-2-enoate
Other name (3)：
  • (4R)-1-Oxo-7α-hydroxy-4,8-dimethyl-6α,4α-(epoxymethano)-12α-(2-methyl-2-butenoyloxy)-17α-(3-furanyl)-5α-androstane-2,14-diene
  • セラミシンH
  • Ceramicine H
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