rel-1-[(2R,5R,10S)-10-(β-D-Glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-2,5-methano-1,3-benzodioxepin-4-yl]ethanone

CAS Registry Number®

183607-09-2

CAS Name

rel-1-[(2R,5R,10S)-10-(β-D-Glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-2,5-methano-1,3-benzodioxepin-4-yl]ethanone

Molecular Formula

C26H30O13

Molecular Mass

550.51

Cite this Page

rel-1-[(2R,5R,10S)-10-(β-D-Glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-2,5-methano-1,3-benzodioxepin-4-yl]ethanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=183607-09-2 (retrieved 2024-11-12) (CAS RN: 183607-09-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C26H30O13/c1-10(28)25(2)19-18-14(31)7-12(29)8-16(18)38-26(39-25,11-4-5-13(30)15(6-11)35-3)23(19)37-24-22(34)21(33)20(32)17(9-27)36-24/h4-8,17,19-24,27,29-34H,9H2,1-3H3/t17-,19+,20-,21+,22-,23-,24+,25?,26+/s2

InChIKey

InChIKey=JRJMBDKZBKOKEW-NMMRFELBNA-N

SMILES

O([C@H]1[C@@]2(OC(C(C)=O)(C)[C@]1(C=3C(O2)=CC(O)=CC3O)[H])C4=CC(OC)=C(O)C=C4)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C(C)C1(OC2(OC=3C=C(O)C=C(O)C3C1C2OC4OC(CO)C(O)C(O)C4O)C5=CC=C(O)C(OC)=C5)C

Other Names for this Substance

  • Ethanone, 1-[(2R,5R,10S)-10-(β-D-glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-2,5-methano-1,3-benzodioxepin-4-yl]-, rel-
  • Ethanone, 1-[10-(β-D-glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-2,5-methano-1,3-benzodioxepin-4-yl]-, (2S,5S,10R)-
  • rel-1-[(2R,5R,10S)-10-(β-D-Glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-2,5-methano-1,3-benzodioxepin-4-yl]ethanone
  • Castavinol 2

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles