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1H-Isoindole-1,3(2H)-dione, 2-[(3.beta.,25R)-3-hydroxycholest-5-en-26-yl]-
SpectraBase Compound ID IrV8gUNYYaU
InChI InChI=1S/C35H49NO3/c1-22(21-36-32(38)26-10-5-6-11-27(26)33(36)39)8-7-9-23(2)29-14-15-30-28-13-12-24-20-25(37)16-18-34(24,3)31(28)17-19-35(29,30)4/h5-6,10-12,22-23,25,28-31,37H,7-9,13-21H2,1-4H3/t22-,23-,25+,28+,29-,30+,31+,34+,35-/m1/s1
InChIKey OPPZOWOQYDNVIJ-JZGKWJGOSA-N
Mol Weight 531.8 g/mol
Molecular Formula C35H49NO3
Exact Mass 531.371244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zjvgrel5rg
Name 1H-Isoindole-1,3(2H)-dione, 2-[(3.beta.,25R)-3-hydroxycholest-5-en-26-yl]-
CAS Registry Number 71472-92-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H49NO3
InChI InChI=1S/C35H49NO3/c1-22(21-36-32(38)26-10-5-6-11-27(26)33(36)39)8-7-9-23(2)29-14-15-30-28-13-12-24-20-25(37)16-18-34(24,3)31(28)17-19-35(29,30)4/h5-6,10-12,22-23,25,28-31,37H,7-9,13-21H2,1-4H3/t22-,23-,25+,28+,29-,30+,31+,34+,35-/m1/s1
InChIKey OPPZOWOQYDNVIJ-JZGKWJGOSA-N
Molecular Weight 531.781 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@@]([C@@](CCC[C@](CN5C(c6ccccc6C5=O)=O)(C)[H])(C)[H])(CC[C@]4([C@@]3(CC=C2C1)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-03di-0971370000-239d768692748ab67c7b
Source of Spectrum K-112-2686-0
Synonyms Cholestane, 1H-isoindole-1,3(2H)-dione deriv. (25R)-26-Phthalimido-5-cholesten-3.beta.-ol 2-[(3beta,25R)-3-hydroxycholest-5-en-27-yl]-1H-isoindole-1,3(2H)-dione
Wiley ID 1403501