β-D-Glucopyranoside, (3β)-lup-20(29)-en-3-yl 4-O-β-D-xylopyranosyl-

CAS Registry Number®

111216-33-2

CAS Name

β-D-Glucopyranoside, (3β)-lup-20(29)-en-3-yl 4-O-β-D-xylopyranosyl-

Molecular Formula

C41H68O10

Molecular Mass

720.97

Cite this Page

β-D-Glucopyranoside, (3β)-lup-20(29)-en-3-yl 4-O-β-D-xylopyranosyl-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=111216-33-2 (retrieved 2024-11-22) (CAS RN: 111216-33-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H68O10/c1-21(2)22-11-14-38(5)17-18-40(7)23(29(22)38)9-10-27-39(6)15-13-28(37(3,4)26(39)12-16-41(27,40)8)50-36-33(47)31(45)34(25(19-42)49-36)51-35-32(46)30(44)24(43)20-48-35/h22-36,42-47H,1,9-20H2,2-8H3/t22-,23+,24+,25+,26-,27+,28-,29+,30-,31+,32+,33+,34+,35-,36-,38+,39-,40+,41+/m0/s1

InChIKey

InChIKey=VTDZILAWJJXPEL-JNQYDNOSSA-N

SMILES

C[C@]12[C@@]3(C)[C@@]([C@@]4([C@@](C)(CC3)CC[C@H]4C(C)=C)[H])(CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)CO7)[C@H](O)[C@H]6O)CC5)[H])[H])[H]

Canonical SMILES

OCC1OC(OC2CCC3(C)C(CCC4(C)C3CCC5C6C(C(=C)C)CCC6(C)CCC54C)C2(C)C)C(O)C(O)C1OC7OCC(O)C(O)C7O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β)-lup-20(29)-en-3-yl 4-O-β-D-xylopyranosyl-
  • Lupane, β-D-glucopyranoside deriv.
  • 1H-Cyclopenta[a]chrysene, β-D-glucopyranoside deriv.

CAS INSIGHTSTM
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