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Substance Name: Paeoniflorin B
RN: 1415091-25-6
UNII: 0WR0ZSG99C
InChIKey: QREQQDSOBGSTFM-XXBRTPTLSA-N

Molecular Formula

  • C36-H42-O17

Molecular Weight

  • 746.7108
 
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Names and Synonyms

Name of Substance

  • Paeoniflorin B

Synonyms

  • Paeoniflorin B
  • UNII-0WR0ZSG99C

Registry Numbers

CAS Registry Number

  • 1415091-25-6

FDA UNII

  • 0WR0ZSG99C

System Generated Number

  • 1415091256

Structure Descriptors

InChI

1S/C36H42O17/c1-33-15-35(45)21-12-36(33,34(21,32(52-33)53-35)16-47-29(44)18-10-6-3-7-11-18)51-31-26(42)24(40)27(50-30-25(41)23(39)22(38)19(13-37)48-30)20(49-31)14-46-28(43)17-8-4-2-5-9-17/h2-11,19-27,30-32,37-42,45H,12-16H2,1H3/t19-,20-,21-,22-,23+,24-,25-,26-,27-,30+,31+,32-,33+,34+,35-,36+/m1/s1

InChIKey

QREQQDSOBGSTFM-XXBRTPTLSA-N

Smiles

C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)c5ccccc5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)c7ccccc7)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O