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CALODIMER_D;7-ALPAH,7-DIACETOXYABIETA-8,11-13-TRIEN12-YL_6-ALPHA-YL_6,7-DEHYDROABIETA-8,11-13-TRIEN-12-YL_ETHER
SpectraBase Compound ID E0VbsYQ6fBW
InChI InChI=1S/C44H60O5/c1-25(2)30-21-29-15-16-37-41(7,8)17-13-19-43(37,11)33(29)23-36(30)49-39-38(48-28(6)46)32-22-31(26(3)4)35(47-27(5)45)24-34(32)44(12)20-14-18-42(9,10)40(39)44/h15-16,21-26,37-40H,13-14,17-20H2,1-12H3/t37-,38-,39-,40-,43+,44+/m0/s1
InChIKey BBCILNXOYDORQP-HGQKMWNXSA-N
Mol Weight 669.0 g/mol
Molecular Formula C44H60O5
Exact Mass 668.444075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AxGX6dBPLUq
Name CALODIMER_D;7-ALPAH,7-DIACETOXYABIETA-8,11-13-TRIEN12-YL_6-ALPHA-YL_6,7-DEHYDROABIETA-8,11-13-TRIEN-12-YL_ETHER
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H60O5
InChI InChI=1S/C44H60O5/c1-25(2)30-21-29-15-16-37-41(7,8)17-13-19-43(37,11)33(29)23-36(30)49-39-38(48-28(6)46)32-22-31(26(3)4)35(47-27(5)45)24-34(32)44(12)20-14-18-42(9,10)40(39)44/h15-16,21-26,37-40H,13-14,17-20H2,1-12H3/t37-,38-,39-,40-,43+,44+/m0/s1
InChIKey BBCILNXOYDORQP-HGQKMWNXSA-N
Literature Reference Author C.L.HSIEH,L.L.SHIU,M.H.TSENG,Y.Y.SHAO,Y.H.KUO
Literature Reference Citation J.NAT.PROD.,69,665(2006)
Literature Reference DOI 10.1021/np058090e
Molecular Weight 668.957 g/mol
Solvent CDCl3
Source File Reference UWMZ18288