[O-CD3,2,3,17-D3]prosolanapyrone hydrate salt

SpectraBase Compound ID	89Y92v5DBfR
InChI	InChI=1S/C18H24O4.O/c1-3-4-5-6-7-8-9-10-11-12-15-13-17(21-2)16(14-19)18(20)22-15;/h3-6,11-13,19H,7-10,14H2,1-2H3;/b4-3+,6-5+,12-11+;/i2D3,3D,4D,14D;
InChIKey	APRCDALSBSLRMG-ZWVVJGHQSA-N Google Search
Mol Weight	326.42 g/mol
Molecular Formula	C18H18D6O5
Exact Mass	326.200034 g/mol

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SpectraBase Spectrum ID	CZV7cjkXoHY
Name	[O-CD3,2,3,17-D3]prosolanapyrone hydrate salt
Alternate Name(s)	[O-CD3,2,3,17-D3]prosolanapyrone hydrate salt
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H20D6O5
InChI	InChI=1S/C18H24O4.O/c1-3-4-5-6-7-8-9-10-11-12-15-13-17(21-2)16(14-19)18(20)22-15;/h3-6,11-13,19H,7-10,14H2,1-2H3;/b4-3+,6-5+,12-11+;/i2D3,3D,4D,14D;
InChIKey	APRCDALSBSLRMG-ZWVVJGHQSA-N
Molecular Weight	328.438 g/mol
SMILES	O.OC(C=1C(OC(=CC1OC([D])([D])[D])\C=C\CCCC\C=C\C(=C\([D])C)[D])=O)[D]
SPLASH	splash10-001a-2920000000-adbb3f2eb653f523e708
Source of Spectrum	KC-0-1231-7
Wiley ID	827805