SpectraBase Spectrum ID |
1qPxoE9h97b |
Name |
(8R,9S,13S,14S,17S)-17-(Iodoethynyl)-3,17-dimethoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene |
Appearance |
Colorless solid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
450.105575107 u |
Formula |
C22H27IO2 |
InChI |
InChI=1S/C22H27IO2/c1-21-10-8-18-17-7-5-16(24-2)14-15(17)4-6-19(18)20(21)9-11-22(21,25-3)12-13-23/h5,7,14,18-20H,4,6,8-11H2,1-3H3/t18-,19-,20+,21+,22-/m1/s1 |
InChIKey |
VYUXHUPIGGYVGC-LXHROKJGSA-N |
Instrument Name |
Finnigan SSQ 7000 |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/chem.202203729 |
Molecular Weight |
450.360 g/mol |
Quality |
38 |
SMILES |
C1=CC2=C(C=C1OC)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(OC)C#CI)[H])C)[H])[H] |
SPLASH |
splash10-00di-0319100000-81a808cdb2425663c836 |
Source of Spectrum |
QE-29-SM37-2v (DOI: 10.1002/chem.202203729) |
Wiley ID |
1909379 |