2,2'-BIS-[ESTRA-1,3,5(10)-TRIEN-3,17-BETA-DIOL]

SpectraBase Compound ID	LbCcGNMIIfw
InChI	InChI=1S/C36H46O4/c1-35-13-11-21-23(29(35)7-9-33(35)39)5-3-19-15-31(37)27(17-25(19)21)28-18-26-20(16-32(28)38)4-6-24-22(26)12-14-36(2)30(24)8-10-34(36)40/h15-18,21-24,29-30,33-34,37-40H,3-14H2,1-2H3/t21-,22-,23+,24+,29-,30-,33-,34-,35-,36-/m0/s1
InChIKey	FIGZVVZRVISDHS-JIHSKRNLSA-N Google Search
Mol Weight	542.8 g/mol
Molecular Formula	C36H46O4
Exact Mass	542.33961 g/mol

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SpectraBase Spectrum ID	27ry5Xo9B4n
Name	2,2'-BIS-[ESTRA-1,3,5(10)-TRIEN-3,17-BETA-DIOL]
Compound Number	2
Copyright	Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C36H46O4
InChI	InChI=1S/C36H46O4/c1-35-13-11-21-23(29(35)7-9-33(35)39)5-3-19-15-31(37)27(17-25(19)21)28-18-26-20(16-32(28)38)4-6-24-22(26)12-14-36(2)30(24)8-10-34(36)40/h15-18,21-24,29-30,33-34,37-40H,3-14H2,1-2H3/t21-,22-,23+,24+,29-,30-,33-,34-,35-,36-/m0/s1
InChIKey	FIGZVVZRVISDHS-JIHSKRNLSA-N
Literature Reference Author	A.PEZZELLA,L.LISTA,A.NAPOLITANO,M.DISCHIA
Literature Reference Citation	J.ORG.CHEM.,69,5652(2004)
Literature Reference DOI	10.1021/jo0492665
Molecular Weight	542.759 g/mol
Solvent	CD3OD
Source File Reference	UWVN22301