Erysimoside

CAS Registry Number®

7082-34-0

CAS Name

Erysimoside

Molecular Formula

C35H52O14

Molecular Mass

696.78

Cite this Page

Erysimoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7082-34-0 (retrieved 2024-12-03) (CAS RN: 7082-34-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    173-176 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3/t17-,19+,20-,21+,22-,23+,24-,26+,27-,28+,29-,30-,31+,32-,33+,34+,35+/m1/s1

InChIKey

InChIKey=KQBVSIZPUWODNU-VRQSBXMXSA-N

SMILES

C(=O)[C@@]12[C@@]3([C@]([C@]4(O)[C@](C)(CC3)[C@H](CC4)C=5COC(=O)C5)(CC[C@]1(O)C[C@@H](O[C@H]6C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](C)O6)CC2)[H])[H]

Canonical SMILES

O=CC12CCC(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3)CC2(O)CCC5C1CCC6(C)C(C7=CC(=O)OC7)CCC56O

Other Names for this Substance

  • Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-β-D-glucopyranosyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)-
  • Erysimoside
  • (3β,5β)-3-[(2,6-Dideoxy-4-O-β-D-glucopyranosyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
  • Erizimoside
  • Strophanthidine digilanobioside

CAS INSIGHTSTM
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