SpectraBase Spectrum ID |
3TiUrZLTPmj |
Name |
[1S-(1.alpha.,2.beta.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)]-Tetradecahydro-1-(2-iodoethyl)-2-(iodomethyl)-4b-methyl-2-phenanthrenol formate |
CAS Registry Number |
91712-60-6 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C19H30I2O2 |
InChI |
InChI=1S/C19H30I2O2/c1-18-9-3-2-4-14(18)5-6-15-16(18)7-10-19(12-21,23-13-22)17(15)8-11-20/h13-17H,2-12H2,1H3/t14-,15-,16+,17+,18+,19-/m1/s1 |
InChIKey |
IXYVNCZZTBJXJI-VLUPQCQJSA-N |
Molecular Weight |
544.256 g/mol |
SMILES |
[C@]12([C@@]3([C@@](CCCC3)([H])CC[C@]1([C@](CCI)([C@](CC2)(OC=O)CI)[H])[H])C)[H] |
SPLASH |
splash10-05ai-9837000000-270431d9d0ebb2055424 |
Source of Spectrum |
J-49-3759-0 |
Synonyms |
(1S,2S,4aS,4bS,8aR,10aR)-1-(2-iodoethyl)-2-(iodomethyl)-4b-methyltetradecahydro-2-phenanthrenyl formate |
Wiley ID |
1404992 |