Chem
J-GLOBAL ID：200907067016547210   Nikkaji number：J629.694G

L-735021

デスアセトキシザラゴジン酸C
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： C38H48O12
Molecular formula furigana： C38-H48-O12
Molecular weight： 696.790
InChI： InChI=1S/C38H48O12/c1-25(16-13-21-27-17-5-3-6-18-27)14-9-10-22-29(39)48-31-30(40)36(23-12-11-15-26(2)24-28-19-7-4-8-20-28)49-32(33(41)42)37(47,34(43)44)38(31,50-36)35(45)46/h3-9,14,17-20,25-26,30-32,40,47H,10-13,15-16,21-24H2,1-2H3,(H,41,42)(H,43,44)(H,45,46)/b14-9+/t25?,26?,30-,31-,32-,36+,37-,38+/m1/s1
InChI key： ZOTNYZYRJOAANS-AZEWGQIDSA-N
SMILES： CC(CCCC[C@]12O[C@@]([C@H](OC(=O)CC/C=C/C(C)CCCc3ccccc3)[C@H]1O)(C(=O)O)[C@@](O)([C@H](O2)C(=O)O)C(=O)O)Cc1ccccc1
Systematic name  (3)：
  • (1S,3S,4S,5R,6R,7R)-4,7-ジヒドロキシ-1-(5-メチル-6-フェニルヘキシル)-6-[[(E)-6-メチル-9-フェニル-4-ノネノイル]オキシ]-2,8-ジオキサビシクロ[3.2.1]オクタン-3,4,5-トリカルボン酸
  • (1S,3S,4S,5R,6R,7R)-4,7-ジヒドロキシ-1-(5-メチル-6-フェニルヘキシル)-6-{[(4E)-6-メチル-9-フェニルノナ-4-エノイル]オキシ}-2,8-ジオキサビシクロ[3.2.1]オクタン-3,4,5-トリカルボン酸
  • (1S,3S,4S,5R,6R,7R)-4,7-dihydroxy-1-(5-methyl-6-phenylhexyl)-6-{[(4E)-6-methyl-9-phenylnon-4-enoyl]oxy}-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Other name (6)：
  • L-735021
  • 4′-デスアセトキシザラゴジン酸C
  • 4′-Desacetoxyzaragozic acid C
  • (1S,3S,4S,5R,6R,7R)-4,7-Dihydroxy-1-(5-methyl-6-phenylhexyl)-6-[[(E)-6-methyl-9-phenyl-4-nonenoyl]oxy]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
  • デスアセトキシザラゴジン酸C
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