| SpectraBase Spectrum ID |
EZBSb6dl7n5 |
| Name |
(5.beta.,10.xi.)-2-Iodo-19-nor-1,2-secocholestan-10-ol formate |
| Alternate Name(s) |
(3R,3aR,7R,9aS)-3-[(1R)-1,5-dimethylhexyl]-7-(3-iodopropyl)-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl formate |
| CAS Registry Number |
91712-67-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H47IO2 |
| InChI |
InChI=1S/C27H47IO2/c1-19(2)8-6-9-20(3)23-13-14-24-22-12-11-21(10-7-17-28)27(5,30-18-29)25(22)15-16-26(23,24)4/h18-25H,6-17H2,1-5H3/t20-,21+,22+,23-,24?,25?,26-,27?/m1/s1 |
| InChIKey |
HJKVJALQOIFKKU-HMLFOMMBSA-N |
| Molecular Weight |
530.575 g/mol |
| SMILES |
[C@@]12(C([C@@]3(CC[C@@](C(C3CC2)(OC=O)C)(CCCI)[H])[H])CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |
| SPLASH |
splash10-001i-0009800000-84637edf8f3a54b0b3e5 |
| Source of Spectrum |
J-49-3760-0 |
| Wiley ID |
1403313 |
