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23-tert-butyl-26,27-dinorcholesta-5,23(E)-dien-3.beta.-ol

View entire compound with spectra: 1 MS (GC)

23-tert-butyl-26,27-dinorcholesta-5,23(E)-dien-3.beta.-ol
SpectraBase Compound ID KIAMfHsFQoW
InChI InChI=1S/C29H48O/c1-8-20(27(3,4)5)17-19(2)24-11-12-25-23-10-9-21-18-22(30)13-15-28(21,6)26(23)14-16-29(24,25)7/h8-9,19,22-26,30H,10-18H2,1-7H3/b20-8+/t19-,22+,23+,24-,25+,26+,28+,29-/m1/s1
InChIKey FLBVKAOXFJSFRL-DYIAYTPGSA-N
Mol Weight 412.7 g/mol
Molecular Formula C29H48O
Exact Mass 412.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gjDg9O4UHP
Name 23-tert-butyl-26,27-dinorcholesta-5,23(E)-dien-3.beta.-ol
Alternate Name(s) (1S,2R,5S,10S,11S,14R,15R)-14-[(2R,4E)-4-tert-butylhex-4-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-ol
CAS Registry Number 117775-23-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/c1-8-20(27(3,4)5)17-19(2)24-11-12-25-23-10-9-21-18-22(30)13-15-28(21,6)26(23)14-16-29(24,25)7/h8-9,19,22-26,30H,10-18H2,1-7H3/b20-8+/t19-,22+,23+,24-,25+,26+,28+,29-/m1/s1
InChIKey FLBVKAOXFJSFRL-DYIAYTPGSA-N
Molecular Weight 412.702 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](C\C(C(C)(C)C)=C/C)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0pw9-9144000000-351528d8fbb9424d3dd6
Source of Spectrum J-53-5902-20
Wiley ID 1374808