β-D-Glucopyranoside, (3β,6α,12β,20E)-3,12,25-trihydroxydammar-20(22)-en-6-yl

CAS Registry Number®

97744-96-2

CAS Name

β-D-Glucopyranoside, (3β,6α,12β,20E)-3,12,25-trihydroxydammar-20(22)-en-6-yl

Molecular Formula

C36H62O9

Molecular Mass

638.87

Cite this Page

β-D-Glucopyranoside, (3β,6α,12β,20E)-3,12,25-trihydroxydammar-20(22)-en-6-yl.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=97744-96-2 (retrieved 2024-11-27) (CAS RN: 97744-96-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H62O9/c1-19(10-9-13-32(2,3)43)20-11-15-35(7)26(20)21(38)16-24-34(6)14-12-25(39)33(4,5)30(34)22(17-36(24,35)8)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/b19-10+/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,34-,35-,36-/m1/s1

InChIKey

InChIKey=SLPPUMWTJMNBCW-SZHHNJADSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@]([C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C1)(C(C)(C)[C@@H](O)CC3)[H])(C[C@@H](O)[C@]5([C@@]2(C)CC[C@@H]5\C(=C\CCC(C)(C)O)\C)[H])[H]

Canonical SMILES

OCC1OC(OC2CC3(C)C(CC(O)C4C(C(=CCCC(O)(C)C)C)CCC43C)C5(C)CCC(O)C(C)(C)C25)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,6α,12β,20E)-3,12,25-trihydroxydammar-20(22)-en-6-yl
  • Sanchinoside B1
  • 3β,12β,25-Trihydroxydammar-(E)-20(22)-ene-6-O-β-D-glucopyranoside

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