sodium [3-[[(8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,4,5-trihydroxyphenyl] sulfate

SpectraBase Compound ID	2LrI6mzPVhc
InChI	InChI=1S/C21H30O7S.Na/c1-12-6-7-17-20(2,3)8-5-9-21(17,4)14(12)10-13-18(23)15(22)11-16(19(13)24)28-29(25,26)27;/h6,11,14,17,22-24H,5,7-10H2,1-4H3,(H,25,26,27);/q;+1/p-1/t14?,17?,21-;/m1./s1
InChIKey	DBGGQVSZBSPTBA-BTPWFVFRSA-M Google Search
Mol Weight	448.51 g/mol
Molecular Formula	C21H29NaO7S
Exact Mass	448.153169 g/mol

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SpectraBase Spectrum ID	55Sxc5f35oZ
Name	sodium [3-[[(8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,4,5-trihydroxyphenyl] sulfate
Compound Number	5
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C21H29NaO7S
InChI	InChI=1S/C21H30O7S.Na/c1-12-6-7-17-20(2,3)8-5-9-21(17,4)14(12)10-13-18(23)15(22)11-16(19(13)24)28-29(25,26)27;/h6,11,14,17,22-24H,5,7-10H2,1-4H3,(H,25,26,27);/q;+1/p-1/t14?,17?,21-;/m1./s1
InChIKey	DBGGQVSZBSPTBA-BTPWFVFRSA-M
Literature Reference Author	V.J.R.V.MUKKU,R.A.EDRADA,F.J.SCHMITZ,M.K.SHANKS,B.CHAUDHURI, D.FABBRO
Literature Reference Citation	J.NAT.PROD.,66,686(2003)
Literature Reference DOI	10.1021/np0205506
Molecular Weight	448.507 g/mol
Solvent	CD3OD
Source File Reference	UWSI7783