CAS Registry Number®
27741-01-1
CAS Name
Geniposidic acid
Molecular Formula
C16H22O10
Molecular Mass
374.34
Compound Properties
-
Melting Point (1)
138-140 °C
Source(s)
- (1) El Bitar, Hoda; Tetrahedron Letters, (2004), 45(3), 515-518, CAplus
Other Names and Identifiers
InChI
InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1
InChIKey
InChIKey=ZJDOESGVOWAULF-OGJQONSISA-N
SMILES
O([C@H]1[C@]2([C@@](C(C(O)=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(O)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)-, (1S,4aS,7aS)-
- Cyclopenta[c]pyran-4-carboxylic acid, 1α-(β-D-glucopyranosyloxy)-1,4aα,5,7aα-tetrahydro-7-(hydroxymethyl)-
- Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, [1S-(1α,4aα,7aα)]-
- (1S,4aS,7aS)-1-(β-D-Glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)cyclopenta[c]pyran-4-carboxylic acid
- Geniposidic acid
Deleted or Replaced CAS Registry Numbers
27932-72-5
