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1H-Isoindole-1,3(2H)-dione, 2-[(3.beta.,16.beta.,25R)-3,16-dihydroxycholest-5-en-26-yl]-

View entire compound with spectra: 2 MS (GC)

1H-Isoindole-1,3(2H)-dione, 2-[(3.beta.,16.beta.,25R)-3,16-dihydroxycholest-5-en-26-yl]-
SpectraBase Compound ID 73kWu7qhtXv
InChI InChI=1S/C35H49NO4/c1-21(20-36-32(39)25-10-5-6-11-26(25)33(36)40)8-7-9-22(2)31-30(38)19-29-27-13-12-23-18-24(37)14-16-34(23,3)28(27)15-17-35(29,31)4/h5-6,10-12,21-22,24,27-31,37-38H,7-9,13-20H2,1-4H3/t21-,22-,24+,27-,28+,29+,30+,31+,34+,35+/m1/s1
InChIKey GXGXHYUDKSSUPG-WCWPKHNUSA-N
Mol Weight 547.8 g/mol
Molecular Formula C35H49NO4
Exact Mass 547.366159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UdRki6rfKu
Name 1H-Isoindole-1,3(2H)-dione, 2-[(3.beta.,16.beta.,25R)-3,16-dihydroxycholest-5-en-26-yl]-
Alternate Name(s) Cholestane, 1H-isoindole-1,3(2H)-dione deriv. (25R)-26-Phthalimido-5-cholesten-3.beta.,16.beta.-diol 2-[(3beta,16beta,25R)-3,16-dihydroxycholest-5-en-27-yl]-1H-isoindole-1,3(2H)-dione 2-[(2R,6R)-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-3,16-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl]isoindole-1,3-dione 2-[(2R,6R)-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-3,16-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl]isoindoline-1,3-dione 2-[(2R,6R)-6-[(3S,8S,9S,10R,13S,14S,16S,17R)-10,13-dimethyl-3,16-bis(oxidanyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl]isoindole-1,3-dione
CAS Registry Number 71473-00-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H49NO4
InChI InChI=1S/C35H49NO4/c1-21(20-36-32(39)25-10-5-6-11-26(25)33(36)40)8-7-9-22(2)31-30(38)19-29-27-13-12-23-18-24(37)14-16-34(23,3)28(27)15-17-35(29,31)4/h5-6,10-12,21-22,24,27-31,37-38H,7-9,13-20H2,1-4H3/t21-,22-,24+,27-,28+,29+,30+,31+,34+,35+/m1/s1
InChIKey GXGXHYUDKSSUPG-WCWPKHNUSA-N
Molecular Weight 547.780 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@]([C@](C4)(O)[H])([C@@](CCC[C@](CN4C(c5ccccc5C4=O)=O)(C)[H])(C)[H])[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH splash10-03di-0750290000-f46cbf6977104d90a260
Source of Spectrum K-112-2688-0
Wiley ID 1405367