Notoginsenoside A

CAS Registry Number®

193895-21-5
No image available.

CAS Name

Notoginsenoside A

Molecular Formula

C54H92O24

Molecular Mass

1125.29

Cite this Page

Notoginsenoside A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=193895-21-5 (retrieved 2024-09-19) (CAS RN: 193895-21-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C54H92O24/c1-49(2,70)13-9-14-54(8,78-47-43(69)39(65)36(62)28(75-47)22-71-45-41(67)37(63)33(59)25(19-55)72-45)23-10-16-53(7)32(23)24(58)18-30-51(5)15-12-31(50(3,4)29(51)11-17-52(30,53)6)76-48-44(40(66)35(61)27(21-57)74-48)77-46-42(68)38(64)34(60)26(20-56)73-46/h9,13,23-48,55-70H,10-12,14-22H2,1-8H3/t23-,24+,25+,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36+,37-,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,51-,52+,53+,54-/m0/s1

InChIKey

InChIKey=NPZAABKZLIBPQV-MLILCQBQSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)[C@@H](O[C@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](CO)O4)CC3)[H])(C[C@@H](O)[C@]6([C@@]2(C)CC[C@@]6([C@@](O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)(CC=CC(C)(C)O)C)[H])[H])[H]

Canonical SMILES

OCC1OC(OCC2OC(OC(C)(CC=CC(O)(C)C)C3CCC4(C)C3C(O)CC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7OC8OC(CO)C(O)C(O)C8O)C(C)(C)C6CCC54C)C(O)C(O)C2O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,12β)-20-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-12,25-dihydroxydammar-23-en-3-yl 2-O-β-D-glucopyranosyl-
  • (3β,12β)-20-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-12,25-dihydroxydammar-23-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • Notoginsenoside A