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Cholestane, 3-methoxy-4,4-dimethyl-, (3.beta.,5.alpha.)-
SpectraBase Compound ID 5wPzqBytI73
InChI InChI=1S/C30H54O/c1-20(2)10-9-11-21(3)23-13-14-24-22-12-15-26-28(4,5)27(31-8)17-19-30(26,7)25(22)16-18-29(23,24)6/h20-27H,9-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27+,29-,30-/m1/s1
InChIKey MFAJAOPUUGXVPP-HFQOGOEZSA-N
Mol Weight 430.8 g/mol
Molecular Formula C30H54O
Exact Mass 430.417466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9uFoyLXF20
Name Cholestane, 3-methoxy-4,4-dimethyl-, (3.beta.,5.alpha.)-
Alternate Name(s) (3beta,5alpha)-3-methoxy-4,4-dimethylcholestane 4,4-Dimethyl-3.beta.-methoxy-5.alpha.-cholestane
CAS Registry Number 73305-63-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H54O
InChI InChI=1S/C30H54O/c1-20(2)10-9-11-21(3)23-13-14-24-22-12-15-26-28(4,5)27(31-8)17-19-30(26,7)25(22)16-18-29(23,24)6/h20-27H,9-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27+,29-,30-/m1/s1
InChIKey MFAJAOPUUGXVPP-HFQOGOEZSA-N
Molecular Weight 430.761 g/mol
SMILES [C@@]12([C@](C(C)(C)[C@](CC2)(OC)[H])(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])C
SPLASH splash10-0a4i-9403100000-1ac0899c3f8d60e3f0dd
Source of Spectrum KC-1979-2924-0
Wiley ID 1381866