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Cholesta-1,4,6-trien-3-one, 25-[(tetrahydro-2H-pyran-2-yl)oxy]-
SpectraBase Compound ID 964JNfUe6cr
InChI InChI=1S/C32H48O3/c1-22(9-8-17-30(2,3)35-29-10-6-7-20-34-29)26-13-14-27-25-12-11-23-21-24(33)15-18-31(23,4)28(25)16-19-32(26,27)5/h11-12,15,18,21-22,25-29H,6-10,13-14,16-17,19-20H2,1-5H3/t22-,25+,26-,27+,28+,29?,31+,32-/m1/s1
InChIKey XHIGTJXWERTOCG-WYZSOFTDSA-N
Mol Weight 480.7 g/mol
Molecular Formula C32H48O3
Exact Mass 480.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LEgGYAXS2BL
Name Cholesta-1,4,6-trien-3-one, 25-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS Registry Number 80239-46-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H48O3
InChI InChI=1S/C32H48O3/c1-22(9-8-17-30(2,3)35-29-10-6-7-20-34-29)26-13-14-27-25-12-11-23-21-24(33)15-18-31(23,4)28(25)16-19-32(26,27)5/h11-12,15,18,21-22,25-29H,6-10,13-14,16-17,19-20H2,1-5H3/t22-,25+,26-,27+,28+,29?,31+,32-/m1/s1
InChIKey XHIGTJXWERTOCG-WYZSOFTDSA-N
Molecular Weight 480.733 g/mol
SMILES [C@@]12(C(C=C[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]13[H])C)([C@@](CCCC(OC1OCCCC1)(C)C)(C)[H])[H])[H])[H])=CC(C=C2)=O)C
SPLASH splash10-0a4r-9522000000-f2ee9db0131366ee2543
Source of Spectrum H-64-1880-0
Synonyms 25-(tetrahydro-2H-pyran-2-yl)oxy-1,4,6-cholestatrien-3-one 25-(tetrahydro-2H-pyran-2-yloxy)cholesta-1,4,6-trien-3-one
Wiley ID 1395320