α-L-Arabinopyranoside, (3β,16β,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-β-D-xylopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→3)-, 2-acetate

CAS Registry Number®

87834-09-1

CAS Name

α-L-Arabinopyranoside, (3β,16β,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-β-D-xylopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→3)-, 2-acetate

Molecular Formula

C48H76O18

Molecular Mass

941.11

Cite this Page

α-L-Arabinopyranoside, (3β,16β,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-β-D-xylopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→3)-, 2-acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87834-09-1 (retrieved 2024-11-25) (CAS RN: 87834-09-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H76O18/c1-22(2)15-24-16-46(8,57)39-25-9-10-30-44(6)13-12-31(43(4,5)29(44)11-14-45(30,7)47(25)20-48(39,66-24)60-21-47)63-41-38(61-23(3)50)36(27(52)19-59-41)64-42-37(34(55)33(54)28(17-49)62-42)65-40-35(56)32(53)26(51)18-58-40/h15,24-42,49,51-57H,9-14,16-21H2,1-8H3/t24-,25+,26+,27-,28+,29-,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40-,41-,42-,44-,45+,46-,47-,48-/m0/s1

InChIKey

InChIKey=ZIUOAVDHMLNSNY-QGEXMSAISA-N

SMILES

C[C@]12[C@@]34[C@@]([C@@]5([C@@](C3)(OC4)O[C@@H](C=C(C)C)C[C@]5(C)O)[H])(CC[C@@]1([C@]6(C)[C@@](CC2)(C(C)(C)[C@@H](O[C@H]7[C@H](OC(C)=O)[C@@H](O[C@H]8[C@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)CO9)[C@@H](O)[C@H](O)[C@@H](CO)O8)[C@@H](O)CO7)CC6)[H])[H])[H]

Canonical SMILES

O=C(OC1C(OCC(O)C1OC2OC(CO)C(O)C(O)C2OC3OCC(O)C(O)C3O)OC4CCC5(C)C(CCC6(C)C5CCC7C8C(O)(C)CC(OC98OCC76C9)C=C(C)C)C4(C)C)C

Other Names for this Substance

  • α-L-Arabinopyranoside, (3β,16β,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-β-D-xylopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→3)-, 2-acetate
  • Colubrin

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