| SpectraBase Spectrum ID |
IZZHxcZsILZ |
| Name |
1,3,4,4a,7,8,8a,9-Octahydro-8a.beta.-hydroxymethyl-1.alpha.,4a.beta.-dimethyl-2,6-phenanthrenedione 2-(Ethylene Acetal) |
| Alternate Name(s) |
(1'S,4'aS,8'aS)-8'a-(hydroxymethyl)-1',3'-dimethyl-3',4',4'a,6',7',8',8'a,9'-octahydro-1'H-spiro[1,3-dioxolane-2,2'-phenanthrene]-6'-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H26O4 |
| InChI |
InChI=1S/C19H26O4/c1-12-9-16-15(13(2)19(12)22-7-8-23-19)4-6-18(11-20)5-3-14(21)10-17(16)18/h4,10,12-13,16,20H,3,5-9,11H2,1-2H3/t12?,13-,16-,18+/m0/s1 |
| InChIKey |
RYIINTIAQARWON-QWHCGQGCSA-N |
| Molecular Weight |
318.413 g/mol |
| SMILES |
OC[C@@]12CC=C3[C@@](C1=CC(=O)CC2)(CC(C1([C@]3(C)[H])OCCO1)C)[H] |
| SPLASH |
splash10-0002-9000000000-c1c492bbf5aa9ae1a432 |
| Source of Spectrum |
AJ-61-3597-37 |
| Wiley ID |
1318643 |
