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SONGARICALARIN_A;(1-S,2-R,3-S,3A-R,5-S,6-R,7-S,7A-S)-2-[(2-METHYLBUTANOYL)-OXY]-1-(1-ALPHA-ACETOXYETHYL)-OCTAHYDRO-3,6-BISHYDROXY-

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SONGARICALARIN_A;(1-S,2-R,3-S,3A-R,5-S,6-R,7-S,7A-S)-2-[(2-METHYLBUTANOYL)-OXY]-1-(1-ALPHA-ACETOXYETHYL)-OCTAHYDRO-3,6-BISHYDROXY-
SpectraBase Compound ID 8r9lv4PSwIc
InChI InChI=1S/C28H42O9/c1-9-13(3)11-18(30)36-25-15(5)19-21(22(24(25)32)28(8)12-34-28)20(16(6)35-17(7)29)26(23(19)31)37-27(33)14(4)10-2/h11,14,16,19-26,31-32H,5,9-10,12H2,1-4,6-8H3/b13-11+/t14?,16-,19+,20-,21+,22+,23+,24-,25+,26-,28-/m1/s1
InChIKey ABZABIRGUJABNL-XNYNQRQHSA-N
Mol Weight 522.6 g/mol
Molecular Formula C28H42O9
Exact Mass 522.282883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H07u71wrMMw
Name SONGARICALARIN_A;(1-S,2-R,3-S,3A-R,5-S,6-R,7-S,7A-S)-2-[(2-METHYLBUTANOYL)-OXY]-1-(1-ALPHA-ACETOXYETHYL)-OCTAHYDRO-3,6-BISHYDROXY-
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42O9
InChI InChI=1S/C28H42O9/c1-9-13(3)11-18(30)36-25-15(5)19-21(22(24(25)32)28(8)12-34-28)20(16(6)35-17(7)29)26(23(19)31)37-27(33)14(4)10-2/h11,14,16,19-26,31-32H,5,9-10,12H2,1-4,6-8H3/b13-11+/t14?,16-,19+,20-,21+,22+,23+,24-,25+,26-,28-/m1/s1
InChIKey ABZABIRGUJABNL-XNYNQRQHSA-N
Literature Reference Author Q.WANG,T.H.CHEN,K.F.BASTOW,S.L.MORRIS-NATSCHKE,K.H.LEE,D.F.C HEN
Literature Reference Citation J.NAT.PROD.,76,305(2013)
Literature Reference DOI 10.1021/np300532p
Molecular Weight 522.636 g/mol
Sample ID 42245
Solvent ACETONE-D6