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6-ALPHA-([4'-O-STEARYL]-7'E-COUMARYLOXY)-EUDESM-4-14)-ENE
SpectraBase Compound ID BUb9I0lrBuH
InChI InChI=1S/C42H66O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-38(43)45-36-27-24-35(25-28-36)26-29-39(44)46-41-37(33(2)3)30-32-42(5)31-21-22-34(4)40(41)42/h24-29,33,37,40-41H,4,6-23,30-32H2,1-3,5H3/b29-26+/t37-,40+,41-,42+/m1/s1
InChIKey VHWWPCNKLZTDOI-WWUALMTNSA-N
Mol Weight 635.0 g/mol
Molecular Formula C42H66O4
Exact Mass 634.496111 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CpDt4SJLOpy
Name 6-ALPHA-([4'-O-STEARYL]-7'E-COUMARYLOXY)-EUDESM-4-14)-ENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H66O4
InChI InChI=1S/C42H66O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-38(43)45-36-27-24-35(25-28-36)26-29-39(44)46-41-37(33(2)3)30-32-42(5)31-21-22-34(4)40(41)42/h24-29,33,37,40-41H,4,6-23,30-32H2,1-3,5H3/b29-26+/t37-,40+,41-,42+/m1/s1
InChIKey VHWWPCNKLZTDOI-WWUALMTNSA-N
Literature Reference Author V.S.P.CHATURVEDULA,A.FAROOQ,J.K.SCHILLING,S.MALONE,I.DERVELD ,M.C.M.WERKHOVEN,J.H
Literature Reference Citation J.NAT.PROD.,67,2053(2004)
Literature Reference DOI 10.1021/np049696q
Molecular Weight 634.984 g/mol
Solvent CDCl3
Source File Reference UWMZ6855