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3,4-SECO-OLEAN-4-(23),13-(18)-DIEN-3-OIC_ACID
SpectraBase Compound ID IJCB87FH3e1
InChI InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h21,24H,1,9-19H2,2-8H3,(H,31,32)/t21-,24+,27+,28-,29+,30+/m0/s1
InChIKey UPKROLOLJKAWPU-NFNMRRJISA-N
Mol Weight 440.7 g/mol
Molecular Formula C30H48O2
Exact Mass 440.365431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzjYQLdavUf
Name 3,4-SECO-OLEAN-4-(23),13-(18)-DIEN-3-OIC_ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H48O2
InChI InChI=1S/C30H48O2/c1-20(2)21-11-14-30(8)24(28(21,6)13-12-25(31)32)10-9-22-23-19-26(3,4)15-16-27(23,5)17-18-29(22,30)7/h21,24H,1,9-19H2,2-8H3,(H,31,32)/t21-,24+,27+,28-,29+,30+/m0/s1
InChIKey UPKROLOLJKAWPU-NFNMRRJISA-N
Literature Reference Author Y.KASHIWADA,M.SEKIYA,K.YAMAZAKI,Y.IKESHIRO,T.FUJIOKA,T.YAMAG ISHI,S.KITAGAWA,Y.TA
Literature Reference Citation J.NAT.PROD.,70,623(2007)
Literature Reference DOI 10.1021/np060631s
Molecular Weight 440.710 g/mol
Sample ID 30164
Solvent C5D5N