(3β,5β,12β,16β)-3-[(O-2,6-Dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14,16-trihydroxycard-20(22)-enolide
CAS Registry Number®
52589-12-5
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CAS Name
(3β,5β,12β,16β)-3-[(O-2,6-Dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14,16-trihydroxycard-20(22)-enolideMolecular Formula
C41H64O15Molecular Mass
796.94Cite this Page
(3β,5β,12β,16β)-3-[(O-2,6-Dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14,16-trihydroxycard-20(22)-enolide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=52589-12-5 (retrieved ) (CAS RN: 52589-12-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
182-195 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C41H64O15/c1-18-36(48)26(42)13-33(51-18)55-38-20(3)53-34(15-28(38)44)56-37-19(2)52-32(14-27(37)43)54-23-8-9-39(4)22(11-23)6-7-24-25(39)12-30(46)40(5)35(21-10-31(47)50-17-21)29(45)16-41(24,40)49/h10,18-20,22-30,32-38,42-46,48-49H,6-9,11-17H2,1-5H3
InChIKey
InChIKey=AASCKLXRKILUGL-UHFFFAOYSA-N
SMILES
OC12C(C)(C(C(O)C1)C=3COC(=O)C3)C(O)CC4C2CCC5C4(C)CCC(OC6CC(O)C(OC7CC(O)C(OC8CC(O)C(O)C(C)O8)C(C)O7)C(C)O6)C5
Canonical SMILES
O=C1OCC(=C1)C2C(O)CC3(O)C4CCC5CC(OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(O)C(O)C8)C(O)C7)C(O)C6)CCC5(C)C4CC(O)C23C
Other Names for this Substance
- Card-20(22)-enolide, 3-[(O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14,16-trihydroxy-, (3β,5β,12β,16β)-
- Diginatin
- (3β,5β,12β,16β)-3-[(O-2,6-Dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14,16-trihydroxycard-20(22)-enolide
Deleted or Replaced CAS Registry Numbers
11012-98-9, 52622-28-3, 53293-40-6
