Punicacortein B

CAS Registry Number®

103488-36-4

CAS Name

Punicacortein B

Molecular Formula

C27H22O18

Molecular Mass

634.45

Cite this Page

Punicacortein B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=103488-36-4 (retrieved 2024-11-25) (CAS RN: 103488-36-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H22O18/c28-7-1-5(2-8(29)15(7)32)25(40)43-4-10(31)17(34)23-24-21(38)14-13(27(42)45-24)12(19(36)22(39)20(14)37)11-6(26(41)44-23)3-9(30)16(33)18(11)35/h1-3,10,17,21,23-24,28-39H,4H2

InChIKey

InChIKey=JYPJJOONMBTTAR-UHFFFAOYSA-N

SMILES

OC1=C2C3=C(C(O)C(OC3=O)C(C(C(COC(=O)C4=CC(O)=C(O)C(O)=C4)O)O)OC(=O)C=5C2=C(O)C(O)=C(O)C5)C(O)=C1O

Canonical SMILES

O=C(OCC(O)C(O)C1OC(=O)C=2C=C(O)C(O)=C(O)C2C3=C(O)C(O)=C(O)C4=C3C(=O)OC1C4O)C5=CC(O)=C(O)C(O)=C5

Other Names for this Substance

  • Punicacortein B
  • Neovescalin, 11-de(6-carboxy-2,3,4-trihydroxyphenyl)-, 18-(3,4,5-trihydroxybenzoate), (15β)-
  • 4,7-Methanodibenzo[f,h][1,4]dioxecin, neovescalin deriv.

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