Notoginsenoside R2

CAS Registry Number®

80418-25-3
No image available.

CAS Name

Notoginsenoside R2

Molecular Formula

C41H70O13

Molecular Mass

770.99

Cite this Page

Notoginsenoside R2.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80418-25-3 (retrieved 2024-08-27) (CAS RN: 80418-25-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H70O13/c1-20(2)10-9-13-41(8,50)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)24(17-40(26,39)7)52-36-33(31(48)30(47)25(18-42)53-36)54-35-32(49)29(46)23(44)19-51-35/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36+,38+,39+,40+,41-/m0/s1

InChIKey

InChIKey=FNIRVWPHRMMRQI-PGOMJGFXSA-N

SMILES

C[C@]12[C@@]3(C)[C@@]([C@@]([C@@](CCC=C(C)C)(C)O)(CC3)[H])([C@H](O)C[C@@]1([C@]4(C)[C@@]([C@@H](O[C@H]5[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)CO6)[C@@H](O)[C@H](O)[C@@H](CO)O5)C2)(C(C)(C)[C@@H](O)CC4)[H])[H])[H]

Canonical SMILES

OCC1OC(OC2CC3(C)C(CC(O)C4C(CCC43C)C(O)(C)CCC=C(C)C)C5(C)CCC(O)C(C)(C)C25)C(OC6OCC(O)C(O)C6O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,6α,12β)-3,12,20-trihydroxydammar-24-en-6-yl 2-O-β-D-xylopyranosyl-
  • (3β,6α,12β)-3,12,20-Trihydroxydammar-24-en-6-yl 2-O-β-D-xylopyranosyl-β-D-glucopyranoside
  • Notoginsenoside R2
  • Ginsenoside Ng-R2
  • 20(S)-Notoginsenoside R2

Deleted or Replaced CAS Registry Numbers

139465-46-6