Chem
J-GLOBAL ID：201207077569214538   Nikkaji number：J3.097.745I

Mandelalide B

マンデラリドB
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： C37H58O13
Molecular formula furigana： C37-H58-O13
Molecular weight： 710.858
InChI： InChI=1S/C37H58O13/c1-6-10-31(39)50-30-18-25-16-24(47-35-34(44-5)33(41)32(40)22(4)45-35)15-23(46-25)13-20(2)11-8-7-9-12-28-21(3)14-29(49-28)27(38)17-26-19-37(30,43)36(42)48-26/h7-9,11,20-30,32-35,38,40-41,43H,6,10,12-19H2,1-5H3/b9-7-,11-8-/t20-,21+,22-,23+,24-,25+,26+,27+,28+,29+,30-,32+,33+,34+,35-,37+/m0/s1
InChI key： XPUZQNDQEJOFMQ-CQIAMNHQSA-N
SMILES： CCCC(=O)O[C@H]1C[C@H]2C[C@H](C[C@@H](C[C@@H](C)/C=C\C=C/C[C@H]3O[C@H](C[C@H]3C)[C@H](O)C[C@@H]3C[C@]1(O)C(=O)O3)O2)O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1OC
Systematic name  (3)：
  • (2R,3S,5R,7S,9R,11R,12E,14Z,17R,18R,20R,21R,23R)-3-(ブタノイルオキシ)-7-(2-O-メチル-6-デオキシ-α-L-タロピラノシルオキシ)-11,18-ジメチル-2,21,23-トリヒドロキシ-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)-23-{[(2R,3R,4R,5S,6S)-4,5-ジヒドロキシ-3-メトキシ-6-メチルオキサン-2-イル]オキシ}-4,9-ジヒドロキシ-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-3-イル ブタノアート
  • (1R,3S,4R,7R,9R,10R,12R,13R,15Z,17Z,19R,21R,23S)-23-{[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-4,9-dihydroxy-12,19-dimethyl-5-oxo-6,25,26-trioxatetracyclo[19.3.1.14,7.110,13]heptacosa-15,17-dien-3-yl butanoate
Other name (3)：
  • (2R,3S,5R,7S,9R,11R,12E,14Z,17R,18R,20R,21R,23R)-3-(Butanoyloxy)-7-(2-O-methyl-6-deoxy-α-L-talopyranosyloxy)-11,18-dimethyl-2,21,23-trihydroxy-5,9:17,20-diepoxy-2,24-cyclo-12,14-tetracosadienoic acid 1,23-lactone
  • マンデラリドB
  • Mandelalide B
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM