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#29D;[9-ALPHA,11-ALPHA,12,12-D(4)]-3-ALPHA,11-BETA,17-ALPHA-TRIHYDROXY-21-SULFOOXY-5-ALPHA-PREGNAN-20-ONE-SODIUM-SALT;[9-ALPHA,11-ALPHA,12,12-D(4)]-ALLO-THF-21
SpectraBase Compound ID 5u4Ro9gi81z
InChI InChI=1S/C21H34O8S.Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;/h12-16,18,22-23,25H,3-11H2,1-2H3,(H,26,27,28);/q;+1/p-1/t12-,13+,14-,15-,16-,18+,19-,20-,21-;/m0./s1/i10D2,16D,18D;
InChIKey SKEXELGHSMBKSL-CRWOOXCXSA-M
Mol Weight 472.56117639 g/mol
Molecular Formula C21H292H4NaO8S
Exact Mass 472.20449 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8iyJIyJx1vz
Name #29D;[9-ALPHA,11-ALPHA,12,12-D(4)]-3-ALPHA,11-BETA,17-ALPHA-TRIHYDROXY-21-SULFOOXY-5-ALPHA-PREGNAN-20-ONE-SODIUM-SALT;[9-ALPHA,11-ALPHA,12,12-D(4)]-ALLO-THF-21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H292H4NaO8S
InChI InChI=1S/C21H34O8S.Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;/h12-16,18,22-23,25H,3-11H2,1-2H3,(H,26,27,28);/q;+1/p-1/t12-,13+,14-,15-,16-,18+,19-,20-,21-;/m0./s1/i10D2,16D,18D;
InChIKey SKEXELGHSMBKSL-CRWOOXCXSA-M
Literature Reference Author K.MITAMURA,T.MABUCHI,K.NAGAE,M.NAKAJIMA,R.MATSUMOTO,S.FUJIOK A,F.SATO,R.SATOH,T.I
Literature Reference Citation STEROIDS,77,1423(2012)
Literature Reference DOI 10.1016/j.steroids.2012.08.007
Molecular Weight 472.563 g/mol
Sample ID 70741
Solvent CD3OD