Chem
J-GLOBAL ID：200907023485531513   Nikkaji number：J1.989.346D

Sandrapin D

サンドラピン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： C36H44O14
Molecular formula furigana： C36-H44-O14
Molecular weight： 700.734
InChI： InChI=1S/C36H44O14/c1-11-16(2)31(42)48-24-28(46-18(4)37)33(6,7)21(14-22(39)44-10)34(8)25(40)23-17(3)36(50-29(24)34)30(47-19(5)38)32(43)49-27(20-12-13-45-15-20)35(36,9)26(23)41/h11-13,15,21,23-24,26-30,41H,3,14H2,1-2,4-10H3/t21-,23?,24-,26-,27-,28-,29?,30+,34+,35-,36+/m0/s1
InChI key： JTROEEVVYGRQMU-DZVRSXKVSA-N
SMILES： COC(=O)C[C@H]1C(C)(C)[C@@H](OC(=O)C)[C@H](OC(=O)C(=CC)C)C2O[C@]34[C@H](OC(=O)C)C(=O)O[C@@H](c5ccoc5)[C@]3(C)[C@@H](O)[C@H](C4=C)C(=O)[C@@]12C
Systematic name  (3)：
  • ドデカヒドロ-1α,10β-ジアセトキシ-4β-(3-フラニル)-5β-ヒドロキシ-4aβ,7aα,9,9-テトラメチル-13-メチレン-2,7-ジオキソ-11α-[(2-メチル-2-ブテノイル)オキシ]-6α,12aβ-メタノ-4H,12aH-ピラノ[4,3-b][1]ベンゾオキソシン-8β-酢酸メチル
  • (1S,4R,5R,7S,8S,10S,11S,12S,13S,16S)-5,16-ビス(アセチルオキシ)-13-(フラン-3-イル)-11-ヒドロキシ-7-(2-メトキシ-2-オキソエチル)-6,6,8,12-テトラメチル-17-メチリデン-9,15-ジオキソ-2,14-ジオキサテトラシクロ[8.6.1.01,12.03,8]ヘプタデカン-4-イル 2-メチルブタ-2-エノアート
  • (1S,4R,5R,7S,8S,10S,11S,12S,13S,16S)-5,16-bis(acetyloxy)-13-(furan-3-yl)-11-hydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-4-yl 2-methylbut-2-enoate
Other name (3)：
  • Dodecahydro-1α,10β-diacetoxy-4β-(3-furanyl)-5β-hydroxy-4aβ,7aα,9,9-tetramethyl-13-methylene-2,7-dioxo-11α-[(2-methyl-2-butenoyl)oxy]-6α,12aβ-methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8β-acetic acid methyl ester
  • サンドラピンD
  • Sandrapin D
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