| SpectraBase Spectrum ID |
589eR690pWI |
| Name |
1,3,4,4a,7,8,8a,9-Octahydro-8a.beta.-acetoxymethyl-1.alpha.,4a.beta.-dimethyl-2,6-phenanthrenedione 2-(Ethylene Acetal) |
| Alternate Name(s) |
(1'S,4'aS,8'aS)-1',3'-dimethyl-6'-oxo-3',4',4'a,6',7',8',8'a,9'-octahydro-1'H-spiro[1,3-dioxolane-2,2'-phenanthrene]-8'a-ylmethyl acetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O5 |
| InChI |
InChI=1S/C21H28O5/c1-13-10-18-17(14(2)21(13)25-8-9-26-21)5-7-20(12-24-15(3)22)6-4-16(23)11-19(18)20/h5,11,13-14,18H,4,6-10,12H2,1-3H3/t13?,14-,18-,20+/m0/s1 |
| InChIKey |
KEZAKAKOHBYYEU-LYBCLRNHSA-N |
| Molecular Weight |
360.450 g/mol |
| SMILES |
C1=2[C@@](C3=CC(=O)CC[C@@]3(CC2)COC(=O)C)(CC(C2([C@]1(C)[H])OCCO2)C)[H] |
| SPLASH |
splash10-0002-9000000000-ad37a454f935fa81f8d8 |
| Source of Spectrum |
AJ-61-3597-29 |
| Wiley ID |
1348466 |
