Convalloside

CAS Registry Number®

13473-51-3

CAS Name

Convalloside

Molecular Formula

C35H52O15

Molecular Mass

712.78

Cite this Page

Convalloside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13473-51-3 (retrieved 2024-11-22) (CAS RN: 13473-51-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    201-205 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C35H52O15/c1-16-29(50-31-27(42)25(40)24(39)22(13-36)49-31)26(41)28(43)30(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/h11,15-16,18-22,24-31,36,39-45H,3-10,12-14H2,1-2H3/t16-,18-,19+,20-,21+,22+,24+,25-,26-,27+,28+,29-,30-,31-,32+,33-,34-,35-/m0/s1

InChIKey

InChIKey=CAYUJEAJKPLCAV-TZOZDROWSA-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](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)C3O)CC2(O)CCC5C1CCC6(C)C(C7=CC(=O)OC7)CCC56O

Other Names for this Substance

  • Card-20(22)-enolide, 3-[(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)-
  • Convalloside
  • (3β,5β)-3-[(6-Deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide

CAS INSIGHTSTM
Targeted protein degrader structure, illustration