4-Hydroxy-2,2-dimethyl-7-[p-(methylphenyl)sulfonamido]-5-(benzoyloxy)-6-(1'-ethynyl)-perhydro-1,3-benzodioxole

SpectraBase Compound ID	C1gFTfFx4F6
InChI	InChI=1S/C25H27NO7S/c1-5-18-19(26-34(29,30)17-13-11-15(2)12-14-17)22-23(33-25(3,4)32-22)20(27)21(18)31-24(28)16-9-7-6-8-10-16/h1,6-14,18-23,26-27H,2-4H3/t18-,19?,20+,21-,22+,23-/m1/s1
InChIKey	NKBGPHVVQXSSKK-RCXIYZQZSA-N Google Search
Mol Weight	485.55 g/mol
Molecular Formula	C25H27NO7S
Exact Mass	485.150823 g/mol

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SpectraBase Spectrum ID	JnCz4u3pXx
Name	4-Hydroxy-2,2-dimethyl-7-[p-(methylphenyl)sulfonamido]-5-(benzoyloxy)-6-(1'-ethynyl)-perhydro-1,3-benzodioxole
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H27NO7S
InChI	InChI=1S/C25H27NO7S/c1-5-18-19(26-34(29,30)17-13-11-15(2)12-14-17)22-23(33-25(3,4)32-22)20(27)21(18)31-24(28)16-9-7-6-8-10-16/h1,6-14,18-23,26-27H,2-4H3/t18-,19?,20+,21-,22+,23-/m1/s1
InChIKey	NKBGPHVVQXSSKK-RCXIYZQZSA-N
Molecular Weight	485.551 g/mol
SMILES	N(C1[C@]([C@]([C@@]([C@@]2([C@]1(OC(O2)(C)C)[H])[H])(O)[H])(OC(=O)c1ccccc1)[H])(C#C)[H])S(c1ccc(cc1)C)(=O)=O
SPLASH	splash10-0a4l-9700000000-65ff25d5a7b6552669e4
Source of Spectrum	AH-84-1326-28
Wiley ID	1584815