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

CAS Registry Number®

183607-16-1

CAS Name

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

Molecular Formula

C27H32O14

Molecular Mass

580.53

Cite this Page

1-[(2S,5S,10R)-10-(β-D-Glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-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=183607-16-1 (retrieved 2024-11-25) (CAS RN: 183607-16-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H32O14/c1-10(29)26(2)19-18-13(31)7-12(30)8-14(18)40-27(41-26,11-5-15(36-3)20(32)16(6-11)37-4)24(19)39-25-23(35)22(34)21(33)17(9-28)38-25/h5-8,17,19,21-25,28,30-35H,9H2,1-4H3/t17-,19+,21-,22+,23-,24-,25+,26?,27+/m1/s1

InChIKey

InChIKey=DHJQGIFMZKHMDS-GMNBUVNWSA-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(OC)=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(OC)=C(O)C(OC)=C5)C

Other Names for this Substance

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

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