| SpectraBase Spectrum ID |
AO7nBNqOnta |
| Name |
(4aR,10R,10aR)-7-Methoxy-2-ethoxycarbonylmethylene-3,4,4a,9,10,10a-hexahydrtophenanthren-10(1H)-yl O-Methylmandelate |
| Alternate Name(s) |
(4bR,7E,8aR,9R)-7-(2-ethoxy-2-oxoethylidene)-2-methoxy-4b,5,6,7,8,8a,9,10-octahydro-9-phenanthrenyl hydroxy(2-methylphenyl)acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H32O6 |
| InChI |
InChI=1S/C28H32O6/c1-4-33-26(29)14-18-9-11-23-22-12-10-20(32-3)15-19(22)16-25(24(23)13-18)34-28(31)27(30)21-8-6-5-7-17(21)2/h5-8,10,12,14-15,23-25,27,30H,4,9,11,13,16H2,1-3H3/b18-14+/t23-,24+,25+,27?/m0/s1 |
| InChIKey |
CECDFNMNTPTHIV-ROIRESBQSA-N |
| Molecular Weight |
464.558 g/mol |
| SMILES |
OC(C(O[C@]1([C@]2([C@](CC\C(C2)=C/C(=O)OCC)([H])c2c(C1)cc(cc2)OC)[H])[H])=O)c1c(C)cccc1 |
| SPLASH |
splash10-00di-0930000000-f21fcd15633b380159a3 |
| Source of Spectrum |
F-47-7977-17 |
| Wiley ID |
1391587 |
