CAS Registry Number®
80681-45-4
CAS Name
prim–O-Glucosylcimifugin
Molecular Formula
C22H28O11
Molecular Mass
468.45
Compound Properties
-
Melting Point (1)
132-133 °C
Source(s)
- (1) Sun, Shi; Zhongcaoyao, (2003), 34(8), 682-684, CAplus
Other Names and Identifiers
InChI
InChI=1S/C22H28O11/c1-22(2,28)15-5-10-12(32-15)6-13-16(20(10)29-3)11(24)4-9(31-13)8-30-21-19(27)18(26)17(25)14(7-23)33-21/h4,6,14-15,17-19,21,23,25-28H,5,7-8H2,1-3H3/t14-,15+,17-,18+,19-,21-/m1/s1
InChIKey
InChIKey=XIUVHOSBSDYXRG-UVTAEQIVSA-N
SMILES
O(C)C=1C2=C(C=C3C1C[C@@H](C(C)(C)O)O3)OC(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC2=O
Canonical SMILES
O=C1C=C(OC=2C=C3OC(CC3=C(OC)C12)C(O)(C)C)COC4OC(CO)C(O)C(O)C4O
Other Names for this Substance
- 5H-Furo[3,2-g][1]benzopyran-5-one, 7-[(β-D-glucopyranosyloxy)methyl]-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-, (2S)-
- 5H-Furo[3,2-g][1]benzopyran-5-one, 7-[(β-D-glucopyranosyloxy)methyl]-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-, (S)-
- (2S)-7-[(β-D-Glucopyranosyloxy)methyl]-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-5H-furo[3,2-g][1]benzopyran-5-one
- prim–O-Glucosylcimifugin
- Cimicifuga glycoside
Deleted or Replaced CAS Registry Numbers
1040409-91-3
