(3β,5β,16β)-16-(Acetyloxy)-3-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
CAS Registry Number®
53735-71-0
CAS Name
(3β,5β,16β)-16-(Acetyloxy)-3-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolideMolecular Formula
C31H46O9Molecular Mass
562.69Cite this Page
(3β,5β,16β)-16-(Acetyloxy)-3-[(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=53735-71-0 (retrieved ) (CAS RN: 53735-71-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C31H46O9/c1-16-28(35)23(33)13-26(38-16)40-20-7-9-29(3)19(12-20)5-6-22-21(29)8-10-30(4)27(18-11-25(34)37-15-18)24(39-17(2)32)14-31(22,30)36/h11,16,19-24,26-28,33,35-36H,5-10,12-15H2,1-4H3/t16-,19-,20+,21+,22-,23+,24+,26+,27+,28-,29+,30-,31+/m1/s1
InChIKey
InChIKey=QWTDCDSWAVIWER-DVZRJHCKSA-N
SMILES
O[C@@]12[C@@](C)([C@H]([C@@H](OC(C)=O)C1)C3=CC(=O)OC3)CC[C@]4([C@]2(CC[C@]5([C@]4(C)CC[C@H](O[C@H]6C[C@H](O)[C@H](O)[C@@H](C)O6)C5)[H])[H])[H]
Canonical SMILES
O=C1OCC(=C1)C2C(OC(=O)C)CC3(O)C4CCC5CC(OC6OC(C)C(O)C(O)C6)CCC5(C)C4CCC23C
Other Names for this Substance
- Card-20(22)-enolide, 16-(acetyloxy)-3-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3β,5β,16β)-
- Gitoroside, acetate
- (3β,5β,16β)-16-(Acetyloxy)-3-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
- Oleandrigenin 3-monodigitoxoside
- O-Acetylgitoroside