Arctiin

CAS Registry Number®

20362-31-6
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CAS Name

Arctiin

Molecular Formula

C27H34O11

Molecular Mass

534.55

Cite this Page

Arctiin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20362-31-6 (retrieved 2024-04-29) (CAS RN: 20362-31-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    112 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,25+,27+/m0/s1

InChIKey

InChIKey=XOJVHLIYNSOZOO-SWOBOCGESA-N

SMILES

C([C@@H]1[C@@H](CC2=CC(OC)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2)C(=O)OC1)C4=CC(OC)=C(OC)C=C4

Canonical SMILES

O=C1OCC(CC2=CC=C(OC)C(OC)=C2)C1CC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C(OC)=C3

Other Names for this Substance

  • 2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-, (3R,4R)-
  • Arctiin
  • 2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-, (3R-trans)-
  • (3R,4R)-4-[(3,4-Dimethoxyphenyl)methyl]-3-[[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-2(3H)-furanone
  • Arctigenin-4-glucoside

View All

Deleted or Replaced CAS Registry Numbers

27193-46-0

CAS INSIGHTSTM
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