| SpectraBase Spectrum ID |
8fQBlDFCnMm |
| Name |
(-)-Padocin {1,3,4,5-Tetrahydro-10-[(4'-hydroxy-3'-methoxyphenyl)methyl]-7-methoxy-1,4-methano-2-benzoxepin-8-ol} |
| Alternate Name(s) |
(1R,9R,12R)-12-(4-hydroxy-3-methoxybenzyl)-5-methoxy-11-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H22O5 |
| InChI |
InChI=1S/C20H22O5/c1-23-18-6-11(3-4-16(18)21)5-14-13-7-12-8-19(24-2)17(22)9-15(12)20(14)25-10-13/h3-4,6,8-9,13-14,20-22H,5,7,10H2,1-2H3/t13-,14+,20+/m0/s1 |
| InChIKey |
VQGIJSURBZWSHL-LRDNONRASA-N |
| Molecular Weight |
342.391 g/mol |
| SMILES |
Oc1c(cc2c([C@]3([C@](Cc4cc(c(cc4)O)OC)([C@](C2)([H])CO3)[H])[H])c1)OC |
| SPLASH |
splash10-000l-0904000000-622700a5cc3ed7369136 |
| Source of Spectrum |
H1-39-248-1 |
| Wiley ID |
756804 |
![(-)-Padocin {1,3,4,5-Tetrahydro-10-[(4'-hydroxy-3'-methoxyphenyl)methyl]-7-methoxy-1,4-methano-2-benzoxepin-8-ol}](/api/spectrum/8fQBlDFCnMm/structure.png?h=300&w=458 "(-)-Padocin {1,3,4,5-Tetrahydro-10-[(4'-hydroxy-3'-methoxyphenyl)methyl]-7-methoxy-1,4-methano-2-benzoxepin-8-ol}")
