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(13-Z,15-E,17-E,22-E)-3-BETA-HYDROXY-12-OXOISOMALABARICA-13,15,17,22,24-PENTAEN-29-OIC_ACID
SpectraBase Compound ID 4dqLRm09yte
InChI InChI=1S/C30H42O4/c1-19(2)10-8-11-20(3)12-9-13-21(4)26-22(31)18-24-28(5)17-15-25(32)30(7,27(33)34)23(28)14-16-29(24,26)6/h8-13,23-25,32H,14-18H2,1-7H3,(H,33,34)/b11-8+,13-9+,20-12+,26-21+/t23-,24+,25-,28+,29+,30-/m1/s1
InChIKey KBUMELUPIHERGI-XMSXVQOCSA-N
Mol Weight 466.7 g/mol
Molecular Formula C30H42O4
Exact Mass 466.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KCjq2SMGX8j
Name (13-Z,15-E,17-E,22-E)-3-BETA-HYDROXY-12-OXOISOMALABARICA-13,15,17,22,24-PENTAEN-29-OIC_ACID
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H42O4
InChI InChI=1S/C30H42O4/c1-19(2)10-8-11-20(3)12-9-13-21(4)26-22(31)18-24-28(5)17-15-25(32)30(7,27(33)34)23(28)14-16-29(24,26)6/h8-13,23-25,32H,14-18H2,1-7H3,(H,33,34)/b11-8+,13-9+,20-12+,26-21+/t23-,24+,25-,28+,29+,30-/m1/s1
InChIKey KBUMELUPIHERGI-XMSXVQOCSA-N
Literature Reference Author J.A.CLEMENT,M.LI,S.M.HECHT,D.G.I.KINGSTON
Literature Reference Citation J.NAT.PROD.,69,373(2006)
Literature Reference DOI 10.1021/np0504107
Molecular Weight 466.661 g/mol
Solvent CDCl3
Source File Reference UWMZ18101