Chem
J-GLOBAL ID:200907025816678113   Nikkaji number:J778.658A

Dichapetalin F

ジカペタリンF
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: C39H54O7
Molecular formula furigana: C39-H54-O7
Molecular weight: 634.854
InChI: InChI=1S/C39H54O7/c1-34(44,22-40)20-26(41)18-27(33(43)45-5)28-12-16-39-21-38(28,39)15-13-30-35(2)14-11-25-17-29(24-9-7-6-8-10-24)46-23-36(25,3)31(35)19-32(42)37(30,39)4/h6-11,27-32,40,42,44H,12-23H2,1-5H3/t27?,28?,29-,30+,31+,32+,34?,35+,36-,37-,38+,39+/m0/s1
InChI key: DTQOWEHUJMDBLL-LAGWCKPZSA-N
SMILES: COC(=O)C(CC(=O)CC(C)(O)CO)C1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC=C4C[C@H](OC[C@]4(C)[C@@H]2C[C@@H](O)[C@@]31C)c1ccccc1
Systematic name  (3):
  • (17ξ,20ξ,32S)-7α,25,26-トリヒドロキシ-23-オキソ-32-フェニル-13α,30-シクロ-29,3-(エポキシエタノ)-5α-ダンマラ-2-エン-21-酸メチル
  • メチル 6,7-ジヒドロキシ-2-[(1S,2R,3R,5R,6R,9S,14S,15R,18R)-3-ヒドロキシ-2,6,14-トリメチル-9-フェニル-8-オキサヘキサシクロ[16.3.1.01,18.02,15.05,14.06,11]ドコサ-11-エン-19-イル]-6-メチル-4-オキソヘプタノアート
  • methyl 6,7-dihydroxy-2-[(1S,2R,3R,5R,6R,9S,14S,15R,18R)-3-hydroxy-2,6,14-trimethyl-9-phenyl-8-oxahexacyclo[16.3.1.01,18.02,15.05,14.06,11]docos-11-en-19-yl]-6-methyl-4-oxoheptanoate
Other name (3):
  • ジカペタリンF
  • Dichapetalin F
  • (17ξ,20ξ,32S)-7α,25,26-Trihydroxy-23-oxo-32-phenyl-13α,30-cyclo-29,3-(epoxyethano)-5α-dammar-2-en-21-oic acid methyl ester
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