CAS Registry Number®
56725-99-6
CAS Name
Icariside I
Molecular Formula
C27H30O11
Molecular Mass
530.52
Compound Properties
-
Melting Point (1)
259-260 °C
Source(s)
- (1) Han, Bing; Zhongguo Yaoxue Zazhi (Beijing, China), (2002), 37(10), 740-742, CAplus
Other Names and Identifiers
InChI
InChI=1S/C27H30O11/c1-12(2)4-9-15-17(36-27-24(34)22(32)20(30)18(11-28)37-27)10-16(29)19-21(31)23(33)25(38-26(15)19)13-5-7-14(35-3)8-6-13/h4-8,10,18,20,22,24,27-30,32-34H,9,11H2,1-3H3/t18-,20-,22+,24-,27-/m1/s1
InChIKey
InChIKey=IYCPMVXIUPYNHI-WPKKLUCLSA-N
SMILES
C(C=C(C)C)C1=C2C(C(=O)C(O)=C(O2)C3=CC=C(OC)C=C3)=C(O)C=C1O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O
Canonical SMILES
O=C1C(O)=C(OC=2C1=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C2CC=C(C)C)C=4C=CC(OC)=CC4
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-3,5-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-
- 4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-3,5-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-
- 7-(β-D-Glucopyranosyloxy)-3,5-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
- Icarisid I
- Icariside I
- Icariin I
Deleted or Replaced CAS Registry Numbers
195537-25-8