| SpectraBase Spectrum ID |
Hh8pUD93iUe |
| Name |
3.alpha.-Acetoxy-12.alpha.-formyloxy-23-iodo-24-nor-5.beta.-cholane |
| Alternate Name(s) |
(1S,2S,5R,7R,10R,11S,14R,15R,16S)-16-(formyloxy)-14-[(2R)-4-iodobutan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H41IO4 |
| InChI |
InChI=1S/C26H41IO4/c1-16(10-12-27)21-7-8-22-20-6-5-18-13-19(31-17(2)29)9-11-25(18,3)23(20)14-24(30-15-28)26(21,22)4/h15-16,18-24H,5-14H2,1-4H3/t16-,18-,19-,20+,21-,22+,23+,24+,25+,26-/m1/s1 |
| InChIKey |
PKZBNOOUHQVKPE-UVVIOMTNSA-N |
| Molecular Weight |
544.514 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(C[C@@]2(OC=O)[H])[H])(CC[C@@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](CCI)(C)[H])[H])[H])C |
| SPLASH |
splash10-01p9-0004900000-2446cd2238b3fa9314f0 |
| Source of Spectrum |
F-53-13125-16 |
| Wiley ID |
803713 |
