1-[(2S,5S,10R)-2-(3,4-Dihydroxy-5-methoxyphenyl)-10-(β-D-glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-4-methyl-2,5-methano-1,3-benzodioxepin-4-yl]ethanone
CAS Registry Number®
183607-17-2
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CAS Name
1-[(2S,5S,10R)-2-(3,4-Dihydroxy-5-methoxyphenyl)-10-(β-D-glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-4-methyl-2,5-methano-1,3-benzodioxepin-4-yl]ethanoneMolecular Formula
C26H30O14Molecular Mass
566.51Cite this Page
1-[(2S,5S,10R)-2-(3,4-Dihydroxy-5-methoxyphenyl)-10-(β-D-glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-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=183607-17-2 (retrieved ) (CAS RN: 183607-17-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C26H30O14/c1-9(28)25(2)18-17-12(30)6-11(29)7-14(17)39-26(40-25,10-4-13(31)19(32)15(5-10)36-3)23(18)38-24-22(35)21(34)20(33)16(8-27)37-24/h4-7,16,18,20-24,27,29-35H,8H2,1-3H3/t16-,18+,20-,21+,22-,23-,24+,25?,26+/m1/s1
InChIKey
InChIKey=ADFRCNLBRJARNV-MHDKHVFCSA-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(O)=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(O)=C(O)C(OC)=C5)C
Other Names for this Substance
- Ethanone, 1-[(2S,5S,10R)-2-(3,4-dihydroxy-5-methoxyphenyl)-10-(β-D-glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-4-methyl-2,5-methano-1,3-benzodioxepin-4-yl]-
- Ethanone, 1-[2-(3,4-dihydroxy-5-methoxyphenyl)-10-(β-D-glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-4-methyl-2,5-methano-1,3-benzodioxepin-4-yl]-, (2S,5S,10R)-
- 1-[(2S,5S,10R)-2-(3,4-Dihydroxy-5-methoxyphenyl)-10-(β-D-glucopyranosyloxy)-4,5-dihydro-6,8-dihydroxy-4-methyl-2,5-methano-1,3-benzodioxepin-4-yl]ethanone
- 5′-Hydroxycastavinol
- Castavinol 3
