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2,3-Bis(diphenylphosphino)-2,3-seco-5.alpha.-cholstane
SpectraBase Compound ID LRJ1AHwGFjr
InChI InChI=1S/C51H68P2/c1-39(2)19-18-20-40(3)47-31-32-48-46-30-29-41(34-37-52(42-21-10-6-11-22-42)43-23-12-7-13-24-43)50(4,49(46)33-35-51(47,48)5)36-38-53(44-25-14-8-15-26-44)45-27-16-9-17-28-45/h6-17,21-28,39-41,46-49H,18-20,29-38H2,1-5H3/t40-,41-,46+,47-,48+,49+,50+,51-/m1/s1
InChIKey VJPIRHQGROKVKX-QTRQATLXSA-N
Mol Weight 743.1 g/mol
Molecular Formula C51H68P2
Exact Mass 742.479626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 93I6Ak6aheb
Name 2,3-Bis(diphenylphosphino)-2,3-seco-5.alpha.-cholstane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C51H68P2
InChI InChI=1S/C51H68P2/c1-39(2)19-18-20-40(3)47-31-32-48-46-30-29-41(34-37-52(42-21-10-6-11-22-42)43-23-12-7-13-24-43)50(4,49(46)33-35-51(47,48)5)36-38-53(44-25-14-8-15-26-44)45-27-16-9-17-28-45/h6-17,21-28,39-41,46-49H,18-20,29-38H2,1-5H3/t40-,41-,46+,47-,48+,49+,50+,51-/m1/s1
InChIKey VJPIRHQGROKVKX-QTRQATLXSA-N
Molecular Weight 743.053 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]([C@@]([C@]3(CC2)[H])(CCP(c2ccccc2)c2ccccc2)C)(CCP(c2ccccc2)c2ccccc2)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0a4i-0211090000-9cc532a1a99a0bb60ffd
Source of Spectrum B-40-1103-14
Synonyms (2-{(3R,3aR,5aS,6S,7R,9aR,9bS)-3-[(1R)-1,5-dimethylhexyl]-7-[2-(diphenylphosphino)ethyl]-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl}ethyl)(diphenyl)phosphine
Wiley ID 1416169