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1H-Isoindole-1,3(2H)-dione, 2-[(3.beta.,25R)-3-(acetyloxy)cholest-5-en-26-yl]-
SpectraBase Compound ID 2rOX2vCfM4W
InChI InChI=1S/C37H51NO4/c1-23(22-38-34(40)28-11-6-7-12-29(28)35(38)41)9-8-10-24(2)31-15-16-32-30-14-13-26-21-27(42-25(3)39)17-19-36(26,4)33(30)18-20-37(31,32)5/h6-7,11-13,23-24,27,30-33H,8-10,14-22H2,1-5H3/t23-,24-,27+,30+,31-,32+,33+,36+,37-/m1/s1
InChIKey ZFPUJTOLLZGMIJ-PZHRMZLZSA-N
Mol Weight 573.8 g/mol
Molecular Formula C37H51NO4
Exact Mass 573.381809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60Miy4ItQyT
Name 1H-Isoindole-1,3(2H)-dione, 2-[(3.beta.,25R)-3-(acetyloxy)cholest-5-en-26-yl]-
CAS Registry Number 71472-93-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H51NO4
InChI InChI=1S/C37H51NO4/c1-23(22-38-34(40)28-11-6-7-12-29(28)35(38)41)9-8-10-24(2)31-15-16-32-30-14-13-26-21-27(42-25(3)39)17-19-36(26,4)33(30)18-20-37(31,32)5/h6-7,11-13,23-24,27,30-33H,8-10,14-22H2,1-5H3/t23-,24-,27+,30+,31-,32+,33+,36+,37-/m1/s1
InChIKey ZFPUJTOLLZGMIJ-PZHRMZLZSA-N
Molecular Weight 573.818 g/mol
SMILES C1(N(C(c2ccccc12)=O)C[C@@](CCC[C@]([C@@]1([C@@]2([C@@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])([H])CC1)C)[H])(C)[H])(C)[H])=O
SPLASH splash10-03di-0941180000-09880a8003240433479e
Source of Spectrum K-112-2686-0
Synonyms Cholestane, 1H-isoindole-1,3(2H)-dione deriv. (25R)-26-Phthalimido-5-cholesten-3.beta.-ol-acetate (3beta,25R)-26-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cholest-5-en-3-yl acetate
Wiley ID 1407965