Carda-4,20(22)-dienolide, 3-[[(2ξ)-6-deoxy-4-O-β-D-glucopyranosyl-β-D-ribo-hexopyranosyl]oxy]-14-hydroxy-, (3β)-

CAS Registry Number®

229319-08-8
No image available.

CAS Name

Carda-4,20(22)-dienolide, 3-[[(2ξ)-6-deoxy-4-O-β-D-glucopyranosyl-β-D-ribo-hexopyranosyl]oxy]-14-hydroxy-, (3β)-

Molecular Formula

C35H52O13

Molecular Mass

680.78

Cite this Page

Carda-4,20(22)-dienolide, 3-[[(2ξ)-6-deoxy-4-O-β-D-glucopyranosyl-β-D-ribo-hexopyranosyl]oxy]-14-hydroxy-, (3β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=229319-08-8 (retrieved 2024-09-19) (CAS RN: 229319-08-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H52O13/c1-16-30(48-32-28(41)26(39)25(38)23(14-36)47-32)27(40)29(42)31(45-16)46-19-6-9-33(2)18(13-19)4-5-22-21(33)7-10-34(3)20(8-11-35(22,34)43)17-12-24(37)44-15-17/h12-13,16,19-23,25-32,36,38-43H,4-11,14-15H2,1-3H3/t16-,19+,20-,21+,22-,23-,25-,26+,27+,28-,29?,30-,31+,32+,33+,34-,35+/m1/s1

InChIKey

InChIKey=DVTQQKKQADHWDM-IIGJELFOSA-N

SMILES

O[C@@]12[C@]3([C@@]([C@]4(C)C(CC3)=C[C@@H](O[C@H]5C(O)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](C)O5)CC4)(CC[C@]1(C)[C@H](CC2)C=7COC(=O)C7)[H])[H]

Canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5=CC(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC23C

Other Names for this Substance

  • Carda-4,20(22)-dienolide, 3-[[(2ξ)-6-deoxy-4-O-β-D-glucopyranosyl-β-D-ribo-hexopyranosyl]oxy]-14-hydroxy-, (3β)-