CAS Registry Number®
489-32-7
CAS Name
Icariin
Molecular Formula
C33H40O15
Molecular Mass
676.66
Compound Properties
-
Melting Point (1)
231-235 °C
Source(s)
- (1) Akai, Saichiro; Yakugaku Zasshi, (1935), 55, 537-99, CAplus
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
- Icariine
- Icariln
- Epimedium PE
