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[2,4,4-2H(3)]TrideuterioIcholest-1-en-3-one
SpectraBase Compound ID JMJh8y4fFxD
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25H,6-12,14,16-17H2,1-5H3/t19-,20+,22+,23-,24+,25+,26+,27-/m1/s1/i13D,17D2
InChIKey IIPHPVVRBVBREZ-VBQRQJRPSA-N
Mol Weight 387.7 g/mol
Molecular Formula C27H41D3O
Exact Mass 387.358046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5G11nDIzpVI
Name [2,4,4-2H(3)]TrideuterioIcholest-1-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H41D3O
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25H,6-12,14,16-17H2,1-5H3/t19-,20+,22+,23-,24+,25+,26+,27-/m1/s1/i13D,17D2
InChIKey IIPHPVVRBVBREZ-VBQRQJRPSA-N
Molecular Weight 387.666 g/mol
SMILES [C@@]12([C@](C(C(=O)C(=C2)[D])([D])[D])(CC[C@]2([C@]3([C@]([C@]([C@@](CCCC(C)C)(C)[H])([H])CC3)(C)CC[C@]12[H])[H])[H])[H])C
SPLASH splash10-0f7c-0009000000-8941c544eb5a5348ccb3
Source of Spectrum KC-1992-431-5
Synonyms TrideuterioIcholest-1-en-3-one
Wiley ID 776129