(E)-(3β,6α,12β)-3,12-Dihydroxy-6-[[6-O-(1-oxo-2-butenyl)-β-D-glucopyranosyl]oxy]dammar-24-en-20-yl β-D-glucopyranoside

CAS Registry Number®

171674-97-8

CAS Name

(E)-(3β,6α,12β)-3,12-Dihydroxy-6-[[6-O-(1-oxo-2-butenyl)-β-D-glucopyranosyl]oxy]dammar-24-en-20-yl β-D-glucopyranoside

Molecular Formula

C46H76O15

Molecular Mass

869.09

Cite this Page

(E)-(3β,6α,12β)-3,12-Dihydroxy-6-[[6-O-(1-oxo-2-butenyl)-β-D-glucopyranosyl]oxy]dammar-24-en-20-yl β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=171674-97-8 (retrieved 2024-11-22) (CAS RN: 171674-97-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C46H76O15/c1-10-12-31(50)57-22-28-34(52)36(54)37(55)40(60-28)58-26-20-45(8)29(43(6)17-15-30(49)42(4,5)39(26)43)19-25(48)32-24(14-18-44(32,45)7)46(9,16-11-13-23(2)3)61-41-38(56)35(53)33(51)27(21-47)59-41/h10,12-13,24-30,32-41,47-49,51-56H,11,14-22H2,1-9H3/b12-10+/t24-,25+,26-,27+,28+,29+,30-,32-,33+,34+,35-,36-,37+,38+,39-,40+,41-,43+,44+,45+,46-/m0/s1

InChIKey

InChIKey=HMPXCABYJUUDEV-STYIPFKDSA-N

SMILES

C[C@]12[C@@]3(C)[C@@]([C@@]([C@@](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)(CCC=C(C)C)C)(CC3)[H])([C@H](O)C[C@@]1([C@]5(C)[C@@]([C@@H](O[C@@H]6O[C@H](COC(/C=C/C)=O)[C@@H](O)[C@H](O)[C@H]6O)C2)(C(C)(C)[C@@H](O)CC5)[H])[H])[H]

Canonical SMILES

O=C(OCC1OC(OC2CC3(C)C(CC(O)C4C(CCC43C)C(OC5OC(CO)C(O)C(O)C5O)(C)CCC=C(C)C)C6(C)CCC(O)C(C)(C)C26)C(O)C(O)C1O)C=CC

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,6α,12β)-3,12-dihydroxy-6-[[6-O-(1-oxo-2-butenyl)-β-D-glucopyranosyl]oxy]dammar-24-en-20-yl, (E)-
  • (E)-(3β,6α,12β)-3,12-Dihydroxy-6-[[6-O-(1-oxo-2-butenyl)-β-D-glucopyranosyl]oxy]dammar-24-en-20-yl β-D-glucopyranoside
  • Koryoginsenoside R1

CAS INSIGHTSTM
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