Chem
J-GLOBAL ID：201007036963568253   Nikkaji number：J2.794.494I

3β-Acetoxy-17β-acetyl-1,2,3,4,6α,7α,10,12,13,14α,16,17-dodecahydro-10β,13β-dimethyl-5β,8β-etheno-15H-cyclopenta[a]phenanthrene-6,7-dicarboxylic anhydride

3β-アセトキシ-17β-アセチル-1,2,3,4,6α,7α,10,12,13,14α,16,17-ドデカヒドロ-10β,13β-ジメチル-5β,8β-エテノ-15H-シクロペンタ[a]フェナントレン-6,7-ジカルボン酸無水物
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： C27H32O6
Molecular formula furigana： C27-H32-O6
Molecular weight： 452.547
InChI： InChI=1S/C27H32O6/c1-14(28)17-5-6-18-24(17,3)9-8-19-25(4)10-7-16(32-15(2)29)13-26(25)11-12-27(18,19)21-20(26)22(30)33-23(21)31/h8,11-12,16-18,20-21H,5-7,9-10,13H2,1-4H3/t16-,17+,18+,20-,21+,24+,25+,26-,27-/m0/s1
InChI key： PSLJWFDKICJBAP-KCJFLTCHSA-N
SMILES： CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H](CC[C@H]4[C@]43C=C[C@]2(C1)[C@H]1[C@@H]4C(=O)OC1=O)C(=O)C
Systematic name  (3)：
  • 3β-アセトキシ-17β-アセチル-1,2,3,4,6α,7α,10,12,13,14α,16,17-ドデカヒドロ-10β,13β-ジメチル-5β,8β-エテノ-15H-シクロペンタ[a]フェナントレン-6,7-ジカルボン酸無水物
  • (1R,2R,5S,6S,10S,13S,15R,16R,20S)-5-アセチル-6,10-ジメチル-17,19-ジオキソ-18-オキサヘキサシクロ[13.5.2.01,9.02,6.010,15.016,20]ドコサ-8,21-ジエン-13-イル アセタート
  • (1R,2R,5S,6S,10S,13S,15R,16R,20S)-5-acetyl-6,10-dimethyl-17,19-dioxo-18-oxahexacyclo[13.5.2.01,9.02,6.010,15.016,20]docosa-8,21-dien-13-yl acetate
Other name (2)：
  • 3β-Acetoxy-17β-acetyl-1,2,3,4,6α,7α,10,12,13,14α,16,17-dodecahydro-10β,13β-dimethyl-5β,8β-etheno-15H-cyclopenta[a]phenanthrene-6,7-dicarboxylic anhydride
  • 17β-Acetyl-1,2,3,4,6α,7α,10,12,13,14α,16,17-dodecahydro-3β-hydroxy-10β,13β-dimethyl-5β,8β-etheno-15H-cyclopenta[a]phenanthrene-6,7-dicarboxylic anhydride acetate
CAS registry number： 25495-42-5
KEGG COMPOUND： C15461
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