Albiflorin

CAS Registry Number®

39011-90-0
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CAS Name

Albiflorin

Molecular Formula

C23H28O11

Molecular Mass

480.46

Cite this Page

Albiflorin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39011-90-0 (retrieved 2024-08-20) (CAS RN: 39011-90-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H28O11/c1-21-8-13(25)12-7-23(21,33-19-17(28)16(27)15(26)14(9-24)32-19)22(12,20(30)34-21)10-31-18(29)11-5-3-2-4-6-11/h2-6,12-17,19,24-28H,7-10H2,1H3/t12-,13+,14+,15+,16-,17+,19-,21-,22-,23-/m0/s1

InChIKey

InChIKey=QQUHMASGPODSIW-ICECTASOSA-N

SMILES

O([C@@]12[C@@]3(COC(=O)C4=CC=CC=C4)[C@@](C1)([C@H](O)C[C@]2(C)OC3=O)[H])[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C(OCC12C(=O)OC3(C)CC(O)C2CC31OC4OC(CO)C(O)C(O)C4O)C=5C=CC=CC5

Other Names for this Substance

  • 7-Oxatricyclo[4.3.0.03,9]nonan-8-one, 9-[(benzoyloxy)methyl]-1-(β-D-glucopyranosyloxy)-4-hydroxy-6-methyl-, (1R,3R,4R,6S,9S)-
  • (1R,3R,4R,6S,9S)-9-[(Benzoyloxy)methyl]-1-(β-D-glucopyranosyloxy)-4-hydroxy-6-methyl-7-oxatricyclo[4.3.0.03,9]nonan-8-one
  • Albiflorin