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KATFIEDZWYBENH-IBBDOYIQSA-M

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KATFIEDZWYBENH-IBBDOYIQSA-M
SpectraBase Compound ID 8FRPglzTrGv
InChI InChI=1S/C27H44O7S.Na/c1-25(2)13-7-14-27(4)21(25)12-15-26(3)20(10-8-18-16-23(31-5)34-24(18)32-6)19(9-11-22(26)27)17-33-35(28,29)30;/h16-17,20-24H,7-15H2,1-6H3,(H,28,29,30);/q;+1/p-1/b19-17+;/t20-,21-,22-,23+,24-,26+,27-;/m0./s1
InChIKey KATFIEDZWYBENH-IBBDOYIQSA-M
Mol Weight 534.7 g/mol
Molecular Formula C27H43NaO7S
Exact Mass 534.262719 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GsjJfFZcbtE
Name KATFIEDZWYBENH-IBBDOYIQSA-M
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H43NaO7S
InChI InChI=1S/C27H44O7S.Na/c1-25(2)13-7-14-27(4)21(25)12-15-26(3)20(10-8-18-16-23(31-5)34-24(18)32-6)19(9-11-22(26)27)17-33-35(28,29)30;/h16-17,20-24H,7-15H2,1-6H3,(H,28,29,30);/q;+1/p-1/b19-17+;/t20-,21-,22-,23+,24-,26+,27-;/m0./s1
InChIKey KATFIEDZWYBENH-IBBDOYIQSA-M
Literature Reference Author J.BAE,J.JEON,<.J.LEE,H.S.LEE,C.J.SIM,K.B.OH,J.SHIN
Literature Reference Citation J.NAT.PROD.,74,1805(2011)
Literature Reference DOI 10.1021/np200492k
Molecular Weight 534.684 g/mol
Sample ID 39152
Solvent CD3OD