β-D-Glucopyranoside, (11R)-11,17-dihydroxy-3,4-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaen-5-yl, 6-(3,4,5-trihydroxybenzoate)

CAS Registry Number®

113204-18-5

CAS Name

β-D-Glucopyranoside, (11R)-11,17-dihydroxy-3,4-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaen-5-yl, 6-(3,4,5-trihydroxybenzoate)

Molecular Formula

C34H40O14

Molecular Mass

672.67

Cite this Page

β-D-Glucopyranoside, (11R)-11,17-dihydroxy-3,4-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaen-5-yl, 6-(3,4,5-trihydroxybenzoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=113204-18-5 (retrieved 2025-01-10) (CAS RN: 113204-18-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    267-269 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C34H40O14/c1-44-31-21-12-17(5-3-4-6-19(35)9-7-16-8-10-22(36)20(21)11-16)30(32(31)45-2)48-34-29(42)28(41)27(40)25(47-34)15-46-33(43)18-13-23(37)26(39)24(38)14-18/h8,10-14,19,25,27-29,34-42H,3-7,9,15H2,1-2H3/t19-,25-,27-,28+,29-,34+/m1/s1

InChIKey

InChIKey=PXTKHOHAJHGCKB-CMCWUMRESA-N

SMILES

O(C)C1=C2C=3C=C(C=CC3O)CC[C@H](O)CCCCC(=C2)C(O[C@@H]4O[C@H](COC(=O)C5=CC(O)=C(O)C(O)=C5)[C@@H](O)[C@H](O)[C@H]4O)=C1OC

Canonical SMILES

O=C(OCC1OC(OC=2C(OC)=C(OC)C3=CC2CCCCC(O)CCC4=CC=C(O)C3=C4)C(O)C(O)C1O)C5=CC(O)=C(O)C(O)=C5

Other Names for this Substance

  • β-D-Glucopyranoside, (11R)-11,17-dihydroxy-3,4-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaen-5-yl, 6-(3,4,5-trihydroxybenzoate)
  • β-D-Glucopyranoside, 11,17-dihydroxy-3,4-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaen-5-yl, 6-(3,4,5-trihydroxybenzoate), (R)-
  • Tricyclo[12.3.1.12,6]nonadecane, β-D-glucopyranoside deriv.
  • (-)-R-Myricanol 5-O-β-D-(6′-O-galloyl)-glucopyranoside
  • (-)-R-Myricanol 5-O-(6′-O-galloyl-β-D-glucopyranoside)

Deleted or Replaced CAS Registry Numbers

150107-06-5

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