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3-PROPANOYLONCHIDIONOL

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3-PROPANOYLONCHIDIONOL
SpectraBase Compound ID 4w58A7ZCjKz
InChI InChI=1S/C40H60O10/c1-15-29-20(6)33(43)24(10)38(47-29)27(13)40(45)28(14)39(48-32(42)18-19(4)5)26(12)37(50-40)25(11)36-23(9)34(44)22(8)35(49-36)21(7)30(16-2)46-31(41)17-3/h19,21,25-28,30,37,39,45H,15-18H2,1-14H3/t21-,25-,26+,27-,28-,30-,37-,39-,40+/m0/s1
InChIKey MVXCAZJSLSAYPW-GKVXFRSOSA-N
Mol Weight 700.9 g/mol
Molecular Formula C40H60O10
Exact Mass 700.418648 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I5EbLybXI5I
Name 3-PROPANOYLONCHIDIONOL
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H60O10
InChI InChI=1S/C40H60O10/c1-15-29-20(6)33(43)24(10)38(47-29)27(13)40(45)28(14)39(48-32(42)18-19(4)5)26(12)37(50-40)25(11)36-23(9)34(44)22(8)35(49-36)21(7)30(16-2)46-31(41)17-3/h19,21,25-28,30,37,39,45H,15-18H2,1-14H3/t21-,25-,26+,27-,28-,30-,37-,39-,40+/m0/s1
InChIKey MVXCAZJSLSAYPW-GKVXFRSOSA-N
Literature Reference Author M.CARBONE,M.L.CIAVATTA,J.R.WANG,H.CIRILLO,V.MATHIEU,R.KISS,E .MOLLO,Y.W.GUO,M.GAV
Literature Reference Citation J.NAT.PROD.,76,2065(2013)
Literature Reference DOI 10.1021/np400483c
Molecular Weight 700.910 g/mol
Solvent CDCl3
Source File Reference UWMZ43412