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]ethanoneMolecular Formula
C27H32O14Molecular Mass
580.53Cite 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 ) (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