Icariin

CAS Registry Number®

489-32-7

CAS Name

Icariin

Molecular Formula

C33H40O15

Molecular Mass

676.66

Cite this Page

Icariin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=489-32-7 (retrieved 2024-11-22) (CAS RN: 489-32-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    231-235 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27+,28+,32-,33+/m0/s1

InChIKey

InChIKey=TZJALUIVHRYQQB-XLRXWWTNSA-N

SMILES

C(C=C(C)C)C1=C2C(C(=O)C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)=C(O2)C4=CC=C(OC)C=C4)=C(O)C=C1O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C1C(OC2OC(C)C(O)C(O)C2O)=C(OC=3C1=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C3CC=C(C)C)C=5C=CC(OC)=CC5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-
  • Icariin
  • 4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-
  • 3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
  • Ieariline

View All

CAS INSIGHTSTM
Targeted protein degrader structure, illustration