CAS Registry Number®
82854-37-3
CAS Name
Echinacoside
Molecular Formula
C35H46O20
Molecular Mass
786.73
Other Names and Identifiers
InChI
InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1
InChIKey
InChIKey=FSBUXLDOLNLABB-WZJPPVJYSA-N
SMILES
O(C(C=CC1=CC(O)=C(O)C=C1)=O)[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](OCCC4=CC(O)=C(O)C=C4)O[C@@H]2CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O
Canonical SMILES
O=C(OC1C(OC(OCCC2=CC=C(O)C(O)=C2)C(O)C1OC3OC(C)C(O)C(O)C3O)COC4OC(CO)C(O)C(O)C4O)C=CC5=CC=C(O)C(O)=C5
Other Names for this Substance
- β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→6)]-, 4-[3-(3,4-dihydroxyphenyl)-2-propenoate]
- Echinacoside
Deleted or Replaced CAS Registry Numbers
143673-39-6
