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Substance Name: Galloyloxypaeoniflorin
RN: 145898-93-7
InChIKey: PRUKRWUTUBERIO-IFPUPTAISA-N

Note

  • Isolated from Chinese moutan cortex.

Molecular Formula

  • C30-H32-O16

Molecular Weight

  • 648.5668
 
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Names and Synonyms

Name of Substance

  • Galloyloxypaeoniflorin

Synonym

  • Galloyl-oxypaeoniflorin

Systematic Name

  • beta-D-Glucopyranoside, tetrahydro-5-hydroxy-5b(((4-hydroxybenzoyl)oxy)methyl)-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta(cd)pentalen-1a(2H)-yl, 6-(3,4,5-trihydroxybenzoate), (1aR-(1aalpha,3beta,3aalpha,5alpha,5aalpha,5balpha))-

Registry Numbers

CAS Registry Number

  • 145898-93-7

System Generated Number

  • 0145898937

Structure Descriptors

InChI

1S/C30H32O16/c1-27-8-29(23(38)22(27)37,10-42-24(39)12-4-16(32)20(35)17(33)5-12)46-30(27,45-28-6-13-7-41-26(18(13)28)44-9-28)11-43-25(40)14-2-3-15(31)21(36)19(14)34/h2-4,7,12,17,20,22-23,31-38H,5-6,8-11H2,1H3/t12?,17?,20?,22-,23-,27?,28-,29?,30+/m0/s1

InChIKey

PRUKRWUTUBERIO-IFPUPTAISA-N

Smiles

CC12CC([C@H]([C@@H]1O)O)(O[C@@]2(COC(=O)c3ccc(c(c3O)O)O)O[C@]45Cc6c4c(oc6)OC5)COC(=O)C7CC(C(C(=C7)O)O)O