| SpectraBase Spectrum ID |
KpFuDWvATHx |
| Name |
(1R,4aS,10S,10aS)-1-Ethyl-7-methoxy-2-ethoxycarbonylmethylene-3,4,4a,9,10,10a-hexahydrophenanthren-10(1H)-yl O-Methylmandelate |
| Alternate Name(s) |
(4bS,7E,8R,8aS,9S)-7-(2-ethoxy-2-oxoethylidene)-8-ethyl-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 |
C30H36O6 |
| InChI |
InChI=1S/C30H36O6/c1-5-22-19(17-27(31)35-6-2)11-13-25-24-14-12-21(34-4)15-20(24)16-26(28(22)25)36-30(33)29(32)23-10-8-7-9-18(23)3/h7-10,12,14-15,17,22,25-26,28-29,32H,5-6,11,13,16H2,1-4H3/b19-17+/t22-,25+,26-,28-,29?/m0/s1 |
| InChIKey |
ZJDUWWYNCCPJBI-JPZHKBCJSA-N |
| Molecular Weight |
492.612 g/mol |
| SMILES |
OC(C(O[C@@]1([C@@]2([C@@](c3c(C1)cc(cc3)OC)(CC\C(=C/C(=O)OCC)[C@@]2(CC)[H])[H])[H])[H])=O)c1c(C)cccc1 |
| SPLASH |
splash10-00di-0901000000-adc1c1398a55b7f5695e |
| Source of Spectrum |
F-47-7978-20 |
| Wiley ID |
1397634 |
