(3β,5β)-3-[(6-Deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide

CAS Registry Number®

64766-15-0
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CAS Name

(3β,5β)-3-[(6-Deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide

Molecular Formula

C35H54O15

Cite this Page

(3β,5β)-3-[(6-Deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64766-15-0 (retrieved 2024-09-19) (CAS RN: 64766-15-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H54O15/c1-16-24(39)27(42)29(50-30-28(43)26(41)25(40)22(13-36)49-30)31(47-16)48-18-3-8-33(15-37)20-4-7-32(2)19(17-11-23(38)46-14-17)6-10-35(32,45)21(20)5-9-34(33,44)12-18/h11,16,18-22,24-31,36-37,39-45H,3-10,12-15H2,1-2H3/t16-,18-,19+,20-,21+,22+,24-,25+,26-,27+,28+,29+,30-,31-,32+,33-,34-,35-/m0/s1

InChIKey

InChIKey=DGPZFZCNZRLKLF-OUXSSFJMSA-N

SMILES

C(O)[C@@]12[C@@]3([C@]([C@]4(O)[C@](C)(CC3)[C@H](CC4)C5=CC(=O)OC5)(CC[C@]1(O)C[C@@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@@H](O)[C@H](C)O6)CC2)[H])[H]

Canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5(O)CC(OC6OC(C)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)CCC5(CO)C4CCC23C

Other Names for this Substance

  • Card-20(22)-enolide, 3-[(6-deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14,19-trihydroxy-, (3β,5β)-
  • (3β,5β)-3-[(6-Deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide
  • Neoconvallatoxoloside