(3β,5β)-3-[(2,6-Dideoxy-4-O-β-D-glucopyranosyl-β-D-xylo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
CAS Registry Number®
CAS Name
(3β,5β)-3-[(2,6-Dideoxy-4-O-β-D-glucopyranosyl-β-D-xylo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolideMolecular Formula
C35H54O12Molecular Mass
666.80Cite this Page
(3β,5β)-3-[(2,6-Dideoxy-4-O-β-D-glucopyranosyl-β-D-xylo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=57361-71-4 (retrieved ) (CAS RN: 57361-71-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
235-237 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C35H54O12/c1-17-31(47-32-30(41)29(40)28(39)25(15-36)46-32)24(37)14-27(44-17)45-20-6-9-33(2)19(13-20)4-5-23-22(33)7-10-34(3)21(8-11-35(23,34)42)18-12-26(38)43-16-18/h12,17,19-25,27-32,36-37,39-42H,4-11,13-16H2,1-3H3/t17-,19-,20+,21-,22+,23-,24+,25-,27+,28-,29+,30-,31+,32+,33+,34-,35+/m1/s1
InChIKey
InChIKey=BKLVUVLBSZAKIF-XXAGUREBSA-N
SMILES
O[C@@]12[C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@@H](O[C@H]5C[C@H](O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](C)O5)CC4)[H])(CC[C@]1(C)[C@H](CC2)C=7COC(=O)C7)[H])[H]
Canonical SMILES
O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6)CCC5(C)C4CCC23C
Other Names for this Substance
- Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-β-D-glucopyranosyl-β-D-xylo-hexopyranosyl)oxy]-14-hydroxy-, (3β,5β)-
- (3β,5β)-3-[(2,6-Dideoxy-4-O-β-D-glucopyranosyl-β-D-xylo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
- Coroloside