| SpectraBase Spectrum ID |
3iPXg53XbhF |
| Name |
2-Iodo-7-oxo-4-nor-2,3-secocholest-5-en-3-yl formate |
| Alternate Name(s) |
[(3R,3aR,6R)-3-[(1R)-1,5-dimethylhexyl]-6-(2-iodoethyl)-3a,6-dimethyl-9-oxo-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]methyl formate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H43IO3 |
| InChI |
InChI=1S/C27H43IO3/c1-18(2)7-6-8-19(3)21-9-10-22-25-23(11-12-27(21,22)5)26(4,13-14-28)20(15-24(25)30)16-31-17-29/h15,17-19,21-23,25H,6-14,16H2,1-5H3/t19-,21-,22?,23?,25?,26+,27-/m1/s1 |
| InChIKey |
QCDOLJJFKIEPJI-RFUGKQPOSA-N |
| Molecular Weight |
542.542 g/mol |
| SMILES |
[C@@]12(C(C3C(C=C([C@@](C3CC2)(CCI)C)COC=O)=O)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |
| SPLASH |
splash10-0006-0009410000-81947d78da417c7f8c76 |
| Source of Spectrum |
KC-1992-3121-4 |
| Wiley ID |
777339 |
