Notoginsenoside B

CAS Registry Number®

193895-26-0
No image available.

CAS Name

Notoginsenoside B

Molecular Formula

C54H90O24

Molecular Mass

1123.28

Cite this Page

Notoginsenoside B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=193895-26-0 (retrieved 2024-09-19) (CAS RN: 193895-26-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C54H90O24/c1-22(2)24(58)10-16-54(8,78-48-44(70)40(66)37(63)29(75-48)21-71-46-42(68)38(64)34(60)26(18-55)72-46)23-9-14-53(7)33(23)25(59)17-31-51(5)13-12-32(50(3,4)30(51)11-15-52(31,53)6)76-49-45(41(67)36(62)28(20-57)74-49)77-47-43(69)39(65)35(61)27(19-56)73-47/h23,25-49,55-57,59-70H,1,9-21H2,2-8H3/t23-,25+,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-/m0/s1

InChIKey

InChIKey=TXQLFMCRDJSJDN-YKBNHCIXSA-N

SMILES

C[C@]12[C@@]3(C)[C@@]([C@@]([C@@](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)(CCC(C(C)=C)=O)C)(CC3)[H])([C@H](O)C[C@@]1([C@]6(C)[C@@](CC2)(C(C)(C)[C@@H](O[C@H]7[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@@H](CO)O7)CC6)[H])[H])[H]

Canonical SMILES

O=C(C(=C)C)CCC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)(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

Other Names for this Substance

  • Dammar-25-en-24-one, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-20-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-12-hydroxy-, (3β,12β)-
  • (3β,12β)-3-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-20-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-12-hydroxydammar-25-en-24-one
  • Notoginsenoside B