Benzoyloxypaeoniflorin

CAS Registry Number®

72896-40-3
No image available.

CAS Name

Benzoyloxypaeoniflorin

Molecular Formula

C30H32O13

Cite this Page

Benzoyloxypaeoniflorin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72896-40-3 (retrieved 2024-06-30) (CAS RN: 72896-40-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H32O13/c1-27-13-29(37)19-11-30(27,28(19,26(42-27)43-29)14-39-24(36)16-7-9-17(31)10-8-16)41-25-22(34)21(33)20(32)18(40-25)12-38-23(35)15-5-3-2-4-6-15/h2-10,18-22,25-26,31-34,37H,11-14H2,1H3/t18-,19-,20-,21+,22-,25+,26-,27+,28+,29-,30+/m1/s1

InChIKey

InChIKey=VIWQCBZFJFSCLC-HRCYFWENSA-N

SMILES

C(OC(=O)C1=CC=C(O)C=C1)[C@@]23[C@@]4(O[C@@H]5O[C@H](COC(=O)C6=CC=CC=C6)[C@@H](O)[C@H](O)[C@H]5O)[C@@]7(C)O[C@@]2(O[C@@](O)([C@@]3(C4)[H])C7)[H]

Canonical SMILES

O=C(OCC1OC(OC23CC4C5(O)OC(OC2(C)C5)C43COC(=O)C6=CC=C(O)C=C6)C(O)C(O)C1O)C=7C=CC=CC7

Other Names for this Substance

  • β-D-Glucopyranoside, (1aR,2S,3aR,5R,5aR,5bS)-tetrahydro-5-hydroxy-5b-[[(4-hydroxybenzoyl)oxy]methyl]-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl, 6-benzoate
  • β-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-benzoate, [1aR-(1aα,2β,3aα,5α,5aα,5bα)]-
  • 2,5-Methano-1H-3,4-dioxacyclobuta[cd]pentalene, β-D-glucopyranoside deriv.
  • Benzoyloxypeoniflorin
  • Benzoyloxypaeoniflorin

View All