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5H-Benzo[b]phosphindole, 5-[(3.beta.,5.alpha.)-cholestan-3-yl]-
SpectraBase Compound ID W1kYG8Tv0R
InChI InChI=1S/C39H55P/c1-26(2)11-10-12-27(3)33-19-20-34-32-18-17-28-25-29(21-23-38(28,4)35(32)22-24-39(33,34)5)40-36-15-8-6-13-30(36)31-14-7-9-16-37(31)40/h6-9,13-16,26-29,32-35H,10-12,17-25H2,1-5H3/t27-,28+,29+,32?,33-,34?,35?,38+,39-/m1/s1
InChIKey OBLWMCJUXJYNHX-KLZBIZEXSA-N
Mol Weight 554.8 g/mol
Molecular Formula C39H55P
Exact Mass 554.404139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2H9ysv5FiNY
Name 5H-Benzo[b]phosphindole, 5-[(3.beta.,5.alpha.)-cholestan-3-yl]-
CAS Registry Number 96575-18-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H55P
InChI InChI=1S/C39H55P/c1-26(2)11-10-12-27(3)33-19-20-34-32-18-17-28-25-29(21-23-38(28,4)35(32)22-24-39(33,34)5)40-36-15-8-6-13-30(36)31-14-7-9-16-37(31)40/h6-9,13-16,26-29,32-35H,10-12,17-25H2,1-5H3/t27-,28+,29+,32?,33-,34?,35?,38+,39-/m1/s1
InChIKey OBLWMCJUXJYNHX-KLZBIZEXSA-N
Molecular Weight 554.843 g/mol
SMILES c12[p](c3c(c2cccc1)cccc3)[C@@]1(C[C@@]2(CCC3C4CC[C@@]([C@]4(CCC3[C@]2(CC1)C)C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H]
SPLASH splash10-0ue9-0402090000-8eeea9cecb4402cf1d3b
Source of Spectrum B-38-117-5
Synonyms Cholestane, 5H-benzo[b]phosphindole deriv. (3beta,5alpha)-3-(5H-benzo[b]phosphindol-5-yl)cholestane 5-(5.alpha.-cholestan-3.beta.-yl)-5H-dibenzophosphole
Wiley ID 1406268