Notoginsenoside E

CAS Registry Number®

193976-50-0

CAS Name

Notoginsenoside E

Molecular Formula

C48H82O20

Molecular Mass

979.15

Cite this Page

Notoginsenoside E.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=193976-50-0 (retrieved 2024-11-25) (CAS RN: 193976-50-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H82O20/c1-43(2,68-61)13-9-14-48(8,67-41-38(60)35(57)32(54)25(20-50)63-41)22-10-16-47(7)30(22)23(52)18-28-45(5)15-12-29(44(3,4)27(45)11-17-46(28,47)6)65-42-39(36(58)33(55)26(21-51)64-42)66-40-37(59)34(56)31(53)24(19-49)62-40/h9,13,22-42,49-61H,10-12,14-21H2,1-8H3/t22-,23+,24+,25+,26+,27-,28+,29-,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-,45-,46+,47+,48-/m0/s1

InChIKey

InChIKey=QIJZJJDYRMOHTP-PODDPFJCSA-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](O)[C@H](O)[C@H]7O)(CC=CC(OO)(C)C)C)[H])[H])[H]

Canonical SMILES

OOC(C=CCC(OC1OC(CO)C(O)C(O)C1O)(C)C2CCC3(C)C2C(O)CC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)C(C)(C)C5CCC43C)(C)C

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,12β)-20-(β-D-glucopyranosyloxy)-25-hydroperoxy-12-hydroxydammar-23-en-3-yl 2-O-β-D-glucopyranosyl-
  • (3β,12β)-20-(β-D-Glucopyranosyloxy)-25-hydroperoxy-12-hydroxydammar-23-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • Notoginsenoside E

Deleted or Replaced CAS Registry Numbers

193980-88-0

CAS INSIGHTSTM
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