SpectraBase Compound ID | 40SdkUHOCm4 |
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InChI | InChI=1S/C21H34O11S2.2Na/c1-19-7-5-13(32-34(28,29)30)9-12(19)3-4-14-15-6-8-21(24,17(23)11-31-33(25,26)27)20(15,2)10-16(22)18(14)19;;/h12-16,18,22,24H,3-11H2,1-2H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2/t12-,13+,14-,15-,16-,18+,19-,20-,21-;;/m0../s1 |
InChIKey | NEQABOXQMSPTPU-YNURGPJSSA-L |
Mol Weight | 570.57553856 g/mol |
Molecular Formula | C21H32Na2O11S2 |
Exact Mass | 570.118143 g/mol |
SpectraBase Spectrum ID | 9HMWAgkpp0g |
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Name | ALLO-TETRAHYDROCORTISOL-3,21-DISULFATE;11-BETA,17-ALPHA-DIHYDROXY-3-ALPHA,21-DISULFOOXY-5-ALPHA-PREGNAN-20-ONE-DISODIUM-SALT |
Compound Number | 20E |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C21H32Na2O11S2 |
InChI | InChI=1S/C21H34O11S2.2Na/c1-19-7-5-13(32-34(28,29)30)9-12(19)3-4-14-15-6-8-21(24,17(23)11-31-33(25,26)27)20(15,2)10-16(22)18(14)19;;/h12-16,18,22,24H,3-11H2,1-2H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2/t12-,13+,14-,15-,16-,18+,19-,20-,21-;;/m0../s1 |
InChIKey | NEQABOXQMSPTPU-YNURGPJSSA-L |
Literature Reference Author | R.OKIHARA,K.MITAMURA,M.HASEGAWA,M.MORI,A.MUTO,G.KAKIYAMA,S.O GAWA,T.IIDA,M.SHIMAD |
Literature Reference Citation | CHEM.PHARM.BULL.,58,344(2010) |
Literature Reference DOI | 10.1248/cpb.58.344 |
Molecular Weight | 570.578 g/mol |
Sample ID | 3411 |
Solvent | Unknown |