(3β,6α,12β)-3,12-Dihydroxy-6-(β-D-xylopyranosyloxy)dammar-24-en-20-yl β-D-glucopyranoside

CAS Registry Number®

98474-75-0

CAS Name

(3β,6α,12β)-3,12-Dihydroxy-6-(β-D-xylopyranosyloxy)dammar-24-en-20-yl β-D-glucopyranoside

Molecular Formula

C41H70O13

Molecular Mass

770.99

Cite this Page

(3β,6α,12β)-3,12-Dihydroxy-6-(β-D-xylopyranosyloxy)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=98474-75-0 (retrieved 2024-12-22) (CAS RN: 98474-75-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H70O13/c1-20(2)10-9-13-41(8,54-36-33(50)31(48)30(47)25(18-42)53-36)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)24(17-40(26,39)7)52-35-32(49)29(46)23(44)19-51-35/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36-,38+,39+,40+,41-/m0/s1

InChIKey

InChIKey=QIVXKAIEVIJKLD-RIAYUTAXSA-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]6[C@H](O)[C@@H](O)[C@H](O)CO6)C2)(C(C)(C)[C@@H](O)CC5)[H])[H])[H]

Canonical SMILES

OCC1OC(OC(C)(CCC=C(C)C)C2CCC3(C)C2C(O)CC4C5(C)CCC(O)C(C)(C)C5C(OC6OCC(O)C(O)C6O)CC43C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,6α,12β)-3,12-dihydroxy-6-(β-D-xylopyranosyloxy)dammar-24-en-20-yl
  • (3β,6α,12β)-3,12-Dihydroxy-6-(β-D-xylopyranosyloxy)dammar-24-en-20-yl β-D-glucopyranoside
  • Pseudoginsenoside RT3

CAS INSIGHTSTM
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