Chem
J-GLOBAL ID：200907056131316530   Nikkaji number：J629.703J

(1S,3S,4S,5R,6R,7R)-4,7-Dihydroxy-1-[(4S,5R)-4-acetoxy-6-phenyl-5-methyl-3-methylenehexyl]-6-[(11-phenoxyundecyl)aminocarbonyloxy]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid

(1S,3S,4S,5R,6R,7R)-4,7-ジヒドロキシ-1-[(4S,5R)-4-アセトキシ-6-フェニル-5-メチル-3-メチレンヘキシル]-6-[(11-フェノキシウンデシル)アミノカルボニルオキシ]-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
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： C43H57NO15
Molecular formula furigana： C43-H57-N-O15
Molecular weight： 827.921
InChI： InChI=1S/C43H57NO15/c1-28(33(56-30(3)45)29(2)27-31-19-13-11-14-20-31)23-24-41-34(46)35(43(59-41,39(51)52)42(54,38(49)50)36(58-41)37(47)48)57-40(53)44-25-17-9-7-5-4-6-8-10-18-26-55-32-21-15-12-16-22-32/h11-16,19-22,29,33-36,46,54H,1,4-10,17-18,23-27H2,2-3H3,(H,44,53)(H,47,48)(H,49,50)(H,51,52)/t29-,33-,34-,35-,36-,41+,42-,43+/m1/s1
InChI key： QOLHWXNSCZGWHK-KHFYJHMESA-N
SMILES： C[C@H](Cc1ccccc1)[C@H](OC(=O)C)C(=C)CC[C@]12O[C@@]([C@H](OC(=O)NCCCCCCCCCCCOc3ccccc3)[C@H]1O)(C(=O)O)[C@@](O)([C@H](O2)C(=O)O)C(=O)O
Systematic name  (3)：
  • (1S,3S,4S,5R,6R,7R)-4,7-ジヒドロキシ-1-[(4S,5R)-4-アセトキシ-6-フェニル-5-メチル-3-メチレンヘキシル]-6-[(11-フェノキシウンデシル)アミノカルボニルオキシ]-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)-1-[(4S,5R)-4-(アセチルオキシ)-5-メチル-3-メチリデン-6-フェニルヘキシル]-4,7-ジヒドロキシ-6-{[(11-フェノキシウンデシル)カルバモイル]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)-1-[(4S,5R)-4-(acetyloxy)-5-methyl-3-methylidene-6-phenylhexyl]-4,7-dihydroxy-6-{[(11-phenoxyundecyl)carbamoyl]oxy}-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Other name (1)：
  • (1S,3S,4S,5R,6R,7R)-4,7-Dihydroxy-1-[(4S,5R)-4-acetoxy-6-phenyl-5-methyl-3-methylenehexyl]-6-[(11-phenoxyundecyl)aminocarbonyloxy]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Thsaurus map：
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