Chem
J-GLOBAL ID：200907050669283978   Nikkaji number：J2.570.915B

Ekeberin C3

エケベリンC3
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： C29H34O9
Molecular formula furigana： C29-H34-O9
Molecular weight： 526.582
InChI： InChI=1S/C29H34O9/c1-14(30)37-21(26(34)35-6)22-27(2,3)23(32)17-11-16-18(29(22,5)24(17)33)7-9-28(4)19(16)12-20(31)38-25(28)15-8-10-36-13-15/h8,10,13,17-18,21-22,25H,7,9,11-12H2,1-6H3/t17?,18-,21+,22-,25-,28+,29-/m0/s1
InChI key： GXYWZNJCGCCUAH-VQSRHGOISA-N
SMILES： COC(=O)[C@H](OC(=O)C)[C@H]1C(C)(C)C(=O)C2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@]1(C)C2=O
Systematic name  (3)：
  • (6R,10α,13α,17aα)-1,3,16-トリオキソ-2,8-メタノ-4,4-ジメチル-6-アセトキシ-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
  • メチル (2R)-2-(アセチルオキシ)-2-[(1S,2S,5R,6R,16S)-6-(フラン-3-イル)-1,5,15,15-テトラメチル-8,14,17-トリオキソ-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-16-イル]アセタート
  • methyl (2R)-2-(acetyloxy)-2-[(1S,2S,5R,6R,16S)-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate
Other name (3)：
  • (6R,10α,13α,17aα)-1,3,16-Trioxo-2,8-methano-4,4-dimethyl-6-acetoxy-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C3
  • Ekeberin C3
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