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SONGARICALARIN_D;(3-S,3A-R,5-S,7-S,7A-S)-1-(1-ETHYLIDENE)-OCTAHYDRO-3-[(2-METHYLBUTANOYL)-OXY]-4-METHYLIDENE-7-PROPYLENE-2-OXO-1-H-

View entire compound with spectra: 1 NMR

SONGARICALARIN_D;(3-S,3A-R,5-S,7-S,7A-S)-1-(1-ETHYLIDENE)-OCTAHYDRO-3-[(2-METHYLBUTANOYL)-OXY]-4-METHYLIDENE-7-PROPYLENE-2-OXO-1-H-
SpectraBase Compound ID 7V4WIKrB3n3
InChI InChI=1S/C26H36O5/c1-9-15(6)12-21(27)30-20-13-19(14(4)5)23-18(11-3)24(28)25(22(23)17(20)8)31-26(29)16(7)10-2/h11-12,16,19-20,22-23,25H,4,8-10,13H2,1-3,5-7H3/b15-12+,18-11+/t16?,19-,20+,22-,23-,25-/m0/s1
InChIKey KDKWABUYLAYHFO-OGWQZUEXSA-N
Mol Weight 428.6 g/mol
Molecular Formula C26H36O5
Exact Mass 428.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C4UiSZWkB7T
Name SONGARICALARIN_D;(3-S,3A-R,5-S,7-S,7A-S)-1-(1-ETHYLIDENE)-OCTAHYDRO-3-[(2-METHYLBUTANOYL)-OXY]-4-METHYLIDENE-7-PROPYLENE-2-OXO-1-H-
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H36O5
InChI InChI=1S/C26H36O5/c1-9-15(6)12-21(27)30-20-13-19(14(4)5)23-18(11-3)24(28)25(22(23)17(20)8)31-26(29)16(7)10-2/h11-12,16,19-20,22-23,25H,4,8-10,13H2,1-3,5-7H3/b15-12+,18-11+/t16?,19-,20+,22-,23-,25-/m0/s1
InChIKey KDKWABUYLAYHFO-OGWQZUEXSA-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 428.569 g/mol
Sample ID 42248
Solvent CDCl3