(3β,12β)-20-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-24-hydroperoxy-12-hydroxydammar-25-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

CAS Registry Number®

193895-49-7

CAS Name

(3β,12β)-20-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-24-hydroperoxy-12-hydroxydammar-25-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

Molecular Formula

C54H92O25

Molecular Mass

1141.29

Cite this Page

(3β,12β)-20-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-24-hydroperoxy-12-hydroxydammar-25-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=193895-49-7 (retrieved 2024-11-25) (CAS RN: 193895-49-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C54H92O25/c1-22(2)25(79-70)10-16-54(8,78-48-44(69)40(65)37(62)29(75-48)21-71-46-42(67)38(63)34(59)26(18-55)72-46)23-9-14-53(7)33(23)24(58)17-31-51(5)13-12-32(50(3,4)30(51)11-15-52(31,53)6)76-49-45(41(66)36(61)28(20-57)74-49)77-47-43(68)39(64)35(60)27(19-56)73-47/h23-49,55-70H,1,9-21H2,2-8H3/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-,49-,51-,52+,53+,54-/m0/s1

InChIKey

InChIKey=GDMBPUARLSVEAE-ASFYBPFHSA-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)(CCC(C(C)=C)OO)C)[H])[H])[H]

Canonical SMILES

OOC(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

  • β-D-Glucopyranoside, (3β,12β)-20-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-24-hydroperoxy-12-hydroxydammar-25-en-3-yl 2-O-β-D-glucopyranosyl-
  • (3β,12β)-20-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-24-hydroperoxy-12-hydroxydammar-25-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • Notoginsenoside C

CAS INSIGHTSTM
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