Calceolarioside B

CAS Registry Number®

105471-98-5
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CAS Name

Calceolarioside B

Molecular Formula

C23H26O11

Molecular Mass

478.45

Cite this Page

Calceolarioside B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=105471-98-5 (retrieved 2024-05-16) (CAS RN: 105471-98-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1

InChIKey

InChIKey=LFKQVVDFNHDYNK-FOXCETOMSA-N

SMILES

O(CCC1=CC(O)=C(O)C=C1)[C@@H]2O[C@H](COC(/C=C/C3=CC(O)=C(O)C=C3)=O)[C@@H](O)[C@H](O)[C@H]2O

Canonical SMILES

O=C(OCC1OC(OCCC2=CC=C(O)C(O)=C2)C(O)C(O)C1O)C=CC3=CC=C(O)C(O)=C3

Other Names for this Substance

  • β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl, 6-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
  • β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl, 6-[3-(3,4-dihydroxyphenyl)-2-propenoate], (E)-
  • Calceolarioside B
  • ZINC 14512219
  • Desrhamnosylisoacteoside

CAS INSIGHTSTM
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