Phillyrin

CAS Registry Number®

487-41-2
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CAS Name

Phillyrin

Molecular Formula

C27H34O11

Molecular Mass

534.55

Cite this Page

Phillyrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=487-41-2 (retrieved 2024-05-14) (CAS RN: 487-41-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    166-168 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H34O11/c1-32-17-6-4-13(8-19(17)33-2)25-15-11-36-26(16(15)12-35-25)14-5-7-18(20(9-14)34-3)37-27-24(31)23(30)22(29)21(10-28)38-27/h4-9,15-16,21-31H,10-12H2,1-3H3/t15-,16-,21+,22+,23-,24+,25-,26+,27+/m0/s1

InChIKey

InChIKey=KFFCKOBAHMGTMW-LGQRSHAYSA-N

SMILES

O(C)C=1C=C([C@@H]2[C@@]3([C@@]([C@@H](OC3)C4=CC(OC)=C(OC)C=C4)(CO2)[H])[H])C=CC1O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O

Canonical SMILES

OCC1OC(OC2=CC=C(C=C2OC)C3OCC4C(OCC34)C5=CC=C(OC)C(OC)=C5)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, 4-[(1S,3aR,4R,6aR)-4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl
  • Phillyrin
  • Phyllyrin
  • β-D-Glucopyranoside, 4-[4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl, [1S-(1α,3aα,4β,6aα)]-
  • 1H,3H-Furo[3,4-c]furan, β-D-glucopyranoside deriv.

View All

Deleted or Replaced CAS Registry Numbers

81446-28-8

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