(3β,5β,16β)-16-(Acetyloxy)-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]-14-hydroxycard-20(22)-enolide

CAS Registry Number®

7242-07-1

CAS Name

(3β,5β,16β)-16-(Acetyloxy)-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]-14-hydroxycard-20(22)-enolide

Molecular Formula

C43H66O15

Molecular Mass

822.98

Cite this Page

(3β,5β,16β)-16-(Acetyloxy)-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]-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=7242-07-1 (retrieved 2024-11-22) (CAS RN: 7242-07-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    227-230 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C43H66O15/c1-20-38(49)29(45)15-35(52-20)57-40-22(3)54-36(17-31(40)47)58-39-21(2)53-34(16-30(39)46)56-26-9-11-41(5)25(14-26)7-8-28-27(41)10-12-42(6)37(24-13-33(48)51-19-24)32(55-23(4)44)18-43(28,42)50/h13,20-22,25-32,34-40,45-47,49-50H,7-12,14-19H2,1-6H3/t20-,21-,22-,25-,26+,27+,28+,29+,30+,31+,32+,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+/m1/s1

InChIKey

InChIKey=NEBPBFLVSYFRQE-QOTTWQCUSA-N

SMILES

C[C@]12[C@@](O)([C@@]3([C@](CC1)([C@@]4(C)[C@](CC3)(C[C@@H](O[C@H]5C[C@H](O)[C@H](O[C@H]6C[C@H](O)[C@H](O[C@H]7C[C@H](O)[C@H](O)[C@@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)CC4)[H])[H])[H])C[C@H](OC(C)=O)[C@@H]2C=8COC(=O)C8

Canonical SMILES

O=C1OCC(=C1)C2C(OC(=O)C)CC3(O)C4CCC5CC(OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(O)C(O)C8)C(O)C7)C(O)C6)CCC5(C)C4CCC23C

Other Names for this Substance

  • Card-20(22)-enolide, 16-(acetyloxy)-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]-14-hydroxy-, (3β,5β,16β)-
  • Gitoxin, 16-acetate
  • (3β,5β,16β)-16-(Acetyloxy)-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]-14-hydroxycard-20(22)-enolide
  • 16-Acetylgitoxin
  • Gitoxin 16β-acetate

View All

Deleted or Replaced CAS Registry Numbers

16447-37-3

CAS INSIGHTSTM
Hourglass and a clock