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5H-Benzo[b]phosphindole, 5-[(3.alpha.,5.alpha.)-cholestan-3-yl]-
SpectraBase Compound ID LgORA2drano
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-ZHURUOGOSA-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 4TggOkKD0o4
Name 5H-Benzo[b]phosphindole, 5-[(3.alpha.,5.alpha.)-cholestan-3-yl]-
CAS Registry Number 96575-16-5
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-ZHURUOGOSA-N
Molecular Weight 554.843 g/mol
SMILES c12[p](c3c(c2cccc1)cccc3)[C@]1(C[C@@]2(CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@@]3([C@]2(CC1)C)[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])[H]
SPLASH splash10-0f89-0802090000-13b0e39a309c4911c5c5
Source of Spectrum B-38-116-2
Synonyms (3alpha,5alpha)-3-(5H-benzo[b]phosphindol-5-yl)cholestane 5-(5.alpha.-cholestan-3.alpha.-yl)-5H-dibenzophosphole
Wiley ID 1406267