| SpectraBase Spectrum ID |
AEaag8PRJY9 |
| Name |
2(1H)-Phenanthrenone, 7-(formyloxy)dodecahydro-8-(iodomethyl)-4a,7-dimethyl-, [4aS-(4a.alpha.,4b.beta.,7.beta.,8.alpha.,8a.alpha.,10a.b eta.)]- |
| Alternate Name(s) |
(1S,2R,4aS,4bS,8aS,10aR)-1-(iodomethyl)-2,4b-dimethyl-7-oxotetradecahydro-2-phenanthrenyl formate
1-Iodomethyl-2-formyloxy-2,4b-dimethyl-perhydrophenanthran-7-one |
| CAS Registry Number |
132088-00-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H27IO3 |
| InChI |
InChI=1S/C18H27IO3/c1-17-7-5-13(21)9-12(17)3-4-14-15(17)6-8-18(2,22-11-20)16(14)10-19/h11-12,14-16H,3-10H2,1-2H3/t12-,14+,15-,16-,17-,18+/m0/s1 |
| InChIKey |
ZGYJBYLQNFNGHL-TVIGFCDGSA-N |
| Molecular Weight |
418.315 g/mol |
| SMILES |
[C@]12([C@@]3([C@@]([C@](CI)([C@@](CC3)(OC=O)C)[H])([H])CC[C@]1(CC(CC2)=O)[H])[H])C |
| SPLASH |
splash10-0002-0092000000-66da356003ac51f32748 |
| Source of Spectrum |
KC-1990-2828-12 |
| Wiley ID |
1377030 |
![2(1H)-Phenanthrenone, 7-(formyloxy)dodecahydro-8-(iodomethyl)-4a,7-dimethyl-, [4aS-(4a.alpha.,4b.beta.,7.beta.,8.alpha.,8a.alpha.,10a.b eta.)]-](/api/spectrum/AEaag8PRJY9/structure.png?h=300&w=458 "2(1H)-Phenanthrenone, 7-(formyloxy)dodecahydro-8-(iodomethyl)-4a,7-dimethyl-, [4aS-(4a.alpha.,4b.beta.,7.beta.,8.alpha.,8a.alpha.,10a.b eta.)]-")
