Notoginsenoside I

CAS Registry Number®

193977-08-1

CAS Name

Notoginsenoside I

Molecular Formula

C54H92O22

Molecular Mass

1093.30

Cite this Page

Notoginsenoside I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=193977-08-1 (retrieved 2024-11-22) (CAS RN: 193977-08-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C54H92O22/c1-24(2)10-9-16-54(8,76-48-44(68)40(64)37(61)30(73-48)23-69-46-42(66)38(62)34(58)27(20-55)70-46)26-13-18-52(6)25(26)11-12-32-51(5)17-15-33(50(3,4)31(51)14-19-53(32,52)7)74-49-45(41(65)36(60)29(22-57)72-49)75-47-43(67)39(63)35(59)28(21-56)71-47/h10,25-49,55-68H,9,11-23H2,1-8H3/t25-,26+,27-,28-,29-,30-,31+,32-,33+,34-,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47+,48+,49+,51+,52-,53-,54+/m1/s1

InChIKey

InChIKey=LGUXGTQKNVOCIU-HRCINUCZSA-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])(CC[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)(CCC=C(C)C)C)[H])[H])[H]

Canonical SMILES

OCC1OC(OCC2OC(OC(C)(CCC=C(C)C)C3CCC4(C)C3CCC5C6(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)-20-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]dammar-24-en-3-yl 2-O-β-D-glucopyranosyl-
  • (3β)-20-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]dammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • Notoginsenoside I
  • Sanshichi saponin H

Deleted or Replaced CAS Registry Numbers

193980-91-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration