Chem
J-GLOBAL ID：200907054486871418   Nikkaji number：J2.570.914D

Ekeberin C2

エケベリンC2
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： C32H40O8
Molecular formula furigana： C32-H40-O8
Molecular weight： 552.664
InChI： InChI=1S/C32H40O8/c1-8-17(2)29(36)40-28-20-13-19-21(32(6,26(20)35)23(30(28,3)4)15-24(33)37-7)9-11-31(5)22(19)14-25(34)39-27(31)18-10-12-38-16-18/h8,10,12,16,20-21,23,27-28H,9,11,13-15H2,1-7H3/b17-8-/t20?,21-,23-,27-,28-,31+,32-/m0/s1
InChI key： LWYAUKBIVFFRJL-DAEDWNMNSA-N
SMILES： COC(=O)C[C@H]1C(C)(C)[C@@H](OC(=O)/C(=C\C)/C)C2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@]1(C)C2=O
Systematic name  (3)：
  • (10α,13α,17aα)-1,16-ジオキソ-2,8-メタノ-3β-[[(Z)-2-メチル-2-ブテノイル]オキシ]-4,4-ジメチル-21,23-エポキシ-D-ホモ-24-ノル-7,8-セコ-17-オキサ-5α-コラ-8(14),20,22-トリエン-7-酸メチル
  • (1S,2S,5R,6R,14S,16S)-6-(フラン-3-イル)-16-(2-メトキシ-2-オキソエチル)-1,5,15,15-テトラメチル-8,17-ジオキソ-7-オキサテトラシクロ[11.3.1.02,11.05,10]ヘプタデカ-10-エン-14-イル (2Z)-2-メチルブタ-2-エノアート
  • (1S,2S,5R,6R,14S,16S)-6-(furan-3-yl)-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-14-yl (2Z)-2-methylbut-2-enoate
Other name (3)：
  • (10α,13α,17aα)-1,16-Dioxo-2,8-methano-3β-[[(Z)-2-methyl-2-butenoyl]oxy]-4,4-dimethyl-21,23-epoxy-D-homo-24-nor-7,8-seco-17-oxa-5α-chola-8(14),20,22-triene-7-oic acid methyl ester
  • エケベリンC2
  • Ekeberin C2
Thsaurus map：
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