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SONGARICALARIN_B;(1-S,2-R,3A-R,5-S,6-R,7-S,7A-S)-2-ACETOXY-1-(1-ALPHA-ACETOXYETHYL)-OCTAHYDRO-6-HYDROXY-4-METHYLIDENE-7-[(2-S)-2-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

SONGARICALARIN_B;(1-S,2-R,3A-R,5-S,6-R,7-S,7A-S)-2-ACETOXY-1-(1-ALPHA-ACETOXYETHYL)-OCTAHYDRO-6-HYDROXY-4-METHYLIDENE-7-[(2-S)-2-
SpectraBase Compound ID DCIQhZEKFNC
InChI InChI=1S/C25H36O8/c1-8-12(2)9-19(28)33-24-13(3)17-10-18(32-16(6)27)20(14(4)31-15(5)26)21(17)22(23(24)29)25(7)11-30-25/h9,14,17-18,20-24,29H,3,8,10-11H2,1-2,4-7H3/b12-9+/t14-,17+,18+,20+,21+,22+,23-,24+,25-/m1/s1
InChIKey QDBZIKDKBOCSPO-OZMBXOTFSA-N
Mol Weight 464.6 g/mol
Molecular Formula C25H36O8
Exact Mass 464.241018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4oZQafgZ3bN
Name SONGARICALARIN_B;(1-S,2-R,3A-R,5-S,6-R,7-S,7A-S)-2-ACETOXY-1-(1-ALPHA-ACETOXYETHYL)-OCTAHYDRO-6-HYDROXY-4-METHYLIDENE-7-[(2-S)-2-
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36O8
InChI InChI=1S/C25H36O8/c1-8-12(2)9-19(28)33-24-13(3)17-10-18(32-16(6)27)20(14(4)31-15(5)26)21(17)22(23(24)29)25(7)11-30-25/h9,14,17-18,20-24,29H,3,8,10-11H2,1-2,4-7H3/b12-9+/t14-,17+,18+,20+,21+,22+,23-,24+,25-/m1/s1
InChIKey QDBZIKDKBOCSPO-OZMBXOTFSA-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 464.556 g/mol
Sample ID 42246
Solvent CDCl3