CAS Registry Number®
24512-63-8
CAS Name
Geniposide
Molecular Formula
C17H24O10
Molecular Mass
388.37
Compound Properties
-
Melting Point (1)
163-164 °C
Source(s)
- (1) Inouye, Hiroyuki; Tetrahedron Letters, (1969), (28), 2347-50, CAplus
Other Names and Identifiers
InChI
InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2,6,8,10-14,16-22H,3-5H2,1H3/t8-,10-,11-,12-,13+,14-,16+,17+/m1/s1
InChIKey
InChIKey=IBFYXTRXDNAPMM-BVTMAQQCSA-N
SMILES
O([C@H]1[C@]2([C@@](C(C(OC)=O)=CO1)(CC=C2CO)[H])[H])[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O
Canonical SMILES
O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(=CCC13)CO
Other Names for this Substance
- Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1S,4aS,7aS)-
- Geniposide
- Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, [1S-(1α,4aα,7aα)]-
- Methyl (1S,4aS,7aS)-1-(β-D-glucopyranoside)-7-hydroxymethyl-1,4a,5,7a-tetrahydrocydopenta[c]pyran-4-carboxylate
Deleted or Replaced CAS Registry Numbers
27745-20-6
