[7,9,19-(13)C(3)]-(3R,5R,8R)-3,5-DEHYDRO-8-HYDROXY-9,10-SECOCHOLEST-10(19)-EN-6-YNE

SpectraBase Compound ID	7bBsRFU5HXO
InChI	InChI=1S/C27H42O/c1-19(2)8-6-9-20(3)23-12-13-24-25(23,5)14-7-15-27(24,28)17-16-26-18-22(26)11-10-21(26)4/h19-20,22-24,28H,4,6-15,18H2,1-3,5H3/t20-,22-,23-,24-,25-,26-,27-/m1/s1/i4+1,15+1,17+1
InChIKey	NYGGCUSCLFPYGG-IZSOMPOISA-N Google Search
Mol Weight	385.6 g/mol
Molecular Formula	C2413C3H42O
Exact Mass	385.33363 g/mol

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SpectraBase Spectrum ID	1uMGvg4fRut
Name	[7,9,19-(13)C(3)]-(3R,5R,8R)-3,5-DEHYDRO-8-HYDROXY-9,10-SECOCHOLEST-10(19)-EN-6-YNE
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C27H42O
InChI	InChI=1S/C27H42O/c1-19(2)8-6-9-20(3)23-12-13-24-25(23,5)14-7-15-27(24,28)17-16-26-18-22(26)11-10-21(26)4/h19-20,22-24,28H,4,6-15,18H2,1-3,5H3/t20-,22-,23-,24-,25-,26-,27-/m1/s1/i4+1,15+1,17+1
InChIKey	NYGGCUSCLFPYGG-IZSOMPOISA-N
Literature Reference Author	W.H.OKAMURA,G.D.ZHU,D.K.HILL,R.J.THOMAS,K.RINGE,D.B.BORCHARD T,A.W.NORMAN,L.J.MUE
Literature Reference Citation	J.ORG.CHEM.,67,1637(2002)
Literature Reference DOI	10.1021/jo011096y
Molecular Weight	382.630 g/mol
Solvent	CDCl3
Source File Reference	UWSI24157