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23-iodo-24-nor-5.beta.-chloan-3.alpha.-yl acetate
SpectraBase Compound ID 1LvqiIRX40U
InChI InChI=1S/C25H41IO2/c1-16(11-14-26)21-7-8-22-20-6-5-18-15-19(28-17(2)27)9-12-24(18,3)23(20)10-13-25(21,22)4/h16,18-23H,5-15H2,1-4H3/t16-,18-,19-,20?,21-,22?,23?,24+,25-/m1/s1
InChIKey ZODLWMMABQABJP-QEJAGLBZSA-N
Mol Weight 500.5 g/mol
Molecular Formula C25H41IO2
Exact Mass 500.215126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbROqWYNx2R
Name 23-iodo-24-nor-5.beta.-chloan-3.alpha.-yl acetate
CAS Registry Number 99707-18-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H41IO2
InChI InChI=1S/C25H41IO2/c1-16(11-14-26)21-7-8-22-20-6-5-18-15-19(28-17(2)27)9-12-24(18,3)23(20)10-13-25(21,22)4/h16,18-23H,5-15H2,1-4H3/t16-,18-,19-,20?,21-,22?,23?,24+,25-/m1/s1
InChIKey ZODLWMMABQABJP-QEJAGLBZSA-N
Molecular Weight 500.505 g/mol
SMILES [C@@]12(C(C3CC[C@]4([C@@](C3CC2)(CC[C@@](OC(=O)C)(C4)[H])C)[H])CC[C@@]1([C@@](CCI)(C)[H])[H])C
SPLASH splash10-001i-0090100000-4e337161b4e185fa0fbd
Source of Spectrum J-51-404-2
Synonyms (2S,5R,7R,14R,15R)-14-[(2R)-4-iodobutan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl acetate
Wiley ID 1398835