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(+)-(3-S,7-S,8-S,13-R,14-S,17-R,18-R,21-S)-25-NORFERN-5-(10),9-(11)-DIENE-19-OXO-3,7,28-TRIOL
SpectraBase Compound ID 581HpOh7KQW
InChI InChI=1S/C29H44O4/c1-16(2)19-13-22(32)25-28(6)10-9-18-17-7-8-23(33)26(3,4)20(17)14-21(31)24(18)27(28,5)11-12-29(19,25)15-30/h9,16,19,21,23-25,30-31,33H,7-8,10-15H2,1-6H3/t19-,21-,23-,24-,25+,27-,28+,29+/m0/s1
InChIKey TXMNDMNAVIQEEQ-GJBPHGMYSA-N
Mol Weight 456.7 g/mol
Molecular Formula C29H44O4
Exact Mass 456.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HtnyLGdgtbR
Name (+)-(3-S,7-S,8-S,13-R,14-S,17-R,18-R,21-S)-25-NORFERN-5-(10),9-(11)-DIENE-19-OXO-3,7,28-TRIOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H44O4
InChI InChI=1S/C29H44O4/c1-16(2)19-13-22(32)25-28(6)10-9-18-17-7-8-23(33)26(3,4)20(17)14-21(31)24(18)27(28,5)11-12-29(19,25)15-30/h9,16,19,21,23-25,30-31,33H,7-8,10-15H2,1-6H3/t19-,21-,23-,24-,25+,27-,28+,29+/m0/s1
InChIKey TXMNDMNAVIQEEQ-GJBPHGMYSA-N
Literature Reference Author L.XIONG,M.ZHU,C.ZHU,S.LIN,Y.YANG,J.SHI
Literature Reference Citation J.NAT.PROD.,75,1160(2012)
Literature Reference DOI 10.1021/np300259s
Molecular Weight 456.666 g/mol
Sample ID 41180
Solvent ACETONE-D6