Notoginsenoside D

CAS Registry Number®

193895-50-0
No image available.

CAS Name

Notoginsenoside D

Molecular Formula

C64H108O31

Molecular Mass

1373.52

Cite this Page

Notoginsenoside D.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=193895-50-0 (retrieved 2024-09-19) (CAS RN: 193895-50-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C64H108O31/c1-25(2)10-9-14-64(8,95-57-51(83)45(77)43(75)33(91-57)24-87-55-50(82)44(76)42(74)32(90-55)23-86-54-48(80)38(70)28(68)21-84-54)26-11-16-63(7)37(26)27(67)18-35-61(5)15-13-36(60(3,4)34(61)12-17-62(35,63)6)92-58-52(46(78)40(72)30(19-65)88-58)94-59-53(47(79)41(73)31(20-66)89-59)93-56-49(81)39(71)29(69)22-85-56/h10,26-59,65-83H,9,11-24H2,1-8H3/t26-,27+,28+,29+,30+,31+,32+,33+,34-,35+,36-,37-,38-,39-,40+,41+,42+,43+,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54-,55+,56-,57-,58-,59-,61-,62+,63+,64-/m0/s1

InChIKey

InChIKey=UIFSQNKEIFIEJO-SQQCDOLMSA-N

SMILES

C[C@]12[C@@]3(C)[C@@]([C@]4(C)[C@@](CC3)(C(C)(C)[C@@H](O[C@H]5[C@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)CO7)[C@@H](O)[C@H](O)[C@@H](CO)O6)[C@@H](O)[C@H](O)[C@@H](CO)O5)CC4)[H])(C[C@@H](O)[C@@]1([C@@]([C@@](O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO[C@H]%10[C@H](O)[C@@H](O)[C@H](O)CO%10)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)(CCC=C(C)C)C)(CC2)[H])[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC2OC3CCC4(C)C(CCC5(C)C4CC(O)C6C(CCC65C)C(OC7OC(COC8OC(COC9OCC(O)C(O)C9O)C(O)C(O)C8O)C(O)C(O)C7O)(C)CCC=C(C)C)C3(C)C)CO)C(OC%10OCC(O)C(O)C%10O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,12β)-12-hydroxy-20-[(O-β-D-xylopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]dammar-24-en-3-yl O-β-D-xylopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→2)-
  • (3β,12β)-12-Hydroxy-20-[(O-β-D-xylopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]dammar-24-en-3-yl O-β-D-xylopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside
  • Notoginsenoside D