Chem
J-GLOBAL ID：201207070465855251   Nikkaji number：J3.097.744K

Mandelalide A

マンデラリドA
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： C33H52O11
Molecular formula furigana： C33-H52-O11
Molecular weight： 624.768
InChI： InChI=1S/C33H52O11/c1-19-9-6-5-7-11-27-20(2)14-28(44-27)26(35)17-25(18-34)42-29(36)12-8-10-22-15-24(16-23(13-19)41-22)43-33-32(39-4)31(38)30(37)21(3)40-33/h5-9,12,19-28,30-35,37-38H,10-11,13-18H2,1-4H3/b7-5-,9-6-,12-8-/t19-,20+,21-,22-,23+,24+,25+,26+,27+,28+,30-,31+,32+,33-/m0/s1
InChI key： BJSSJVCQCFTQDJ-YENPUSHVSA-N
SMILES： CO[C@@H]1[C@H](O)[C@@H](O)[C@H](C)O[C@H]1O[C@@H]1C[C@@H]2C/C=C\C(=O)O[C@@H](CO)C[C@@H](O)[C@H]3C[C@@H](C)[C@@H](C/C=C\C=C/[C@H](C)C[C@H](C1)O2)O3
Systematic name  (3)：
  • (2E,5S,7R,9R,11R,12E,14Z,17R,18R,20R,21R,23R)-7-(2-O-メチル-α-L-ラムノピラノシルオキシ)-11,18-ジメチル-21,23,24-トリヒドロキシ-5,9:17,20-ジエポキシ-2,12,14-テトラコサトリエン酸1,23-ラクトン
  • (1R,3R,4Z,6Z,9R,10R,12R,13R,15R,18Z,21S,23R)-23-{[(2R,3R,4R,5R,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}-13-ヒドロキシ-15-(ヒドロキシメチル)-3,10-ジメチル-16,25,26-トリオキサトリシクロ[19.3.1.19,12]ヘキサコサ-4,6,18-トリエン-17-オン
  • (1R,3R,4Z,6Z,9R,10R,12R,13R,15R,18Z,21S,23R)-23-{[(2R,3R,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-13-hydroxy-15-(hydroxymethyl)-3,10-dimethyl-16,25,26-trioxatricyclo[19.3.1.19,12]hexacosa-4,6,18-trien-17-one
Other name (3)：
  • (2E,5S,7R,9R,11R,12E,14Z,17R,18R,20R,21R,23R)-7-(2-O-Methyl-α-L-rhamnopyranosyloxy)-11,18-dimethyl-21,23,24-trihydroxy-5,9:17,20-diepoxy-2,12,14-tetracosatrienoic acid 1,23-lactone
  • マンデラリドA
  • Mandelalide A
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