Chem
J-GLOBAL ID：201207090700972547   Nikkaji number：J3.097.747E

Mandelalide D

マンデラリド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： C34H52O11
Molecular formula furigana： C34-H52-O11
Molecular weight： 636.779
InChI： InChI=1S/C34H52O11/c1-5-10-30(37)44-29-18-24-17-22(35)16-23(41-24)14-20(3)12-8-7-9-13-26-21(4)15-27(42-26)25(36)19-28-32(45-31(38)11-6-2)34(29,40)33(39)43-28/h7-9,12,20-29,32,35-36,40H,5-6,10-11,13-19H2,1-4H3/b9-7-,12-8-/t20-,21+,22-,23+,24+,25+,26+,27+,28+,29-,32-,34+/m0/s1
InChI key： VTRLEAAMYYAHOD-DVFVUMSFSA-N
SMILES： CCCC(=O)O[C@H]1[C@H]2C[C@@H](O)[C@H]3C[C@@H](C)[C@@H](C/C=C\C=C/[C@H](C)C[C@@H]4C[C@H](O)C[C@H](C[C@H](OC(=O)CCC)[C@]1(O)C(=O)O2)O4)O3
Systematic name  (3)：
  • (2R,3S,5R,7S,9R,11R,12E,14Z,17R,18R,20R,21R,23R,24S)-3,24-ビス(ブタノイルオキシ)-11,18-ジメチル-2,7,21,23-テトラヒドロキシ-5,9:17,20-ジエポキシ-2,24-シクロ-12,14-テトラコサジエン酸1,23-ラクトン
  • (1R,3S,4R,7R,9R,10R,12R,13R,15Z,17Z,19R,21R,23S,27S)-3-(ブタノイルオキシ)-4,9,23-トリヒドロキシ-12,19-ジメチル-5-オキソ-6,25,26-トリオキサテトラシクロ[19.3.1.14,7.110,13]ヘプタコサ-15,17-ジエン-27-イル ブタノアート
  • (1R,3S,4R,7R,9R,10R,12R,13R,15Z,17Z,19R,21R,23S,27S)-3-(butanoyloxy)-4,9,23-trihydroxy-12,19-dimethyl-5-oxo-6,25,26-trioxatetracyclo[19.3.1.14,7.110,13]heptacosa-15,17-dien-27-yl butanoate
Other name (3)：
  • (2R,3S,5R,7S,9R,11R,12E,14Z,17R,18R,20R,21R,23R,24S)-3,24-Bis(butanoyloxy)-11,18-dimethyl-2,7,21,23-tetrahydroxy-5,9:17,20-diepoxy-2,24-cyclo-12,14-tetracosadienoic acid 1,23-lactone
  • マンデラリドD
  • Mandelalide D
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