Chem
J-GLOBAL ID：200907009826730754   Nikkaji number：J591.096J

Trichilin D

トリキリン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： C35H46O12
Molecular formula furigana： C35-H46-O12
Molecular weight： 658.741
InChI： InChI=1S/C35H46O12/c1-8-16(2)29(41)46-30-32(6)22-12-23(39)33(7)26(34(22,15-43-30)27(40)25(44-17(3)36)28(32)45-18(4)37)21(38)13-31(5)20(19-9-10-42-14-19)11-24-35(31,33)47-24/h9-10,14,16,20,22-28,30,39-40H,8,11-13,15H2,1-7H3/t16?,20-,22-,23+,24+,25+,26-,27-,28+,30?,31-,32+,33+,34-,35+/m0/s1
InChI key： PRAMYZIXNOZDQY-RHOOQESOSA-N
SMILES： CCC(C)C(=O)OC1OC[C@]23[C@@H](O)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@@]1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)C[C@@]2(C)[C@@H](C[C@H]3O[C@@]123)c1ccoc1
Systematic name  (3)：
  • (4R,13α,17α)-4,8-ジメチル-11-オキソ-14β,15β:21,23-ジエポキシ-19,4β-(エポキシメタノ)-24-ノル-5α-コラ-20,22-ジエン-1α,2α,3α,7α,26-ペンタオール2,3-ジアセタート26-(2-メチルブチラート)
  • (1S,2R,5S,6S,8R,10R,11S,12R,14R,15R,19R,20R,21S)-20,21-ビス(アセチルオキシ)-6-(フラン-3-イル)-12,19-ジヒドロキシ-5,11,15-トリメチル-3-オキソ-9,17-ジオキサヘキサシクロ[13.3.3.01,14.02,11.05,10.08,10]ヘンイコサン-16-イル 2-メチルブタノアート
  • (1S,2R,5S,6S,8R,10R,11S,12R,14R,15R,19R,20R,21S)-20,21-bis(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl 2-methylbutanoate
Other name (3)：
  • トリキリンD
  • Trichilin D
  • (4R,13α,17α)-4,8-Dimethyl-11-oxo-14β,15β:21,23-diepoxy-19,4β-(epoxymethano)-24-nor-5α-chola-20,22-diene-1α,2α,3α,7α,26-pentaol 2,3-diacetate 26-(2-methylbutyrate)
CAS registry number： 77196-03-3
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