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SPICULISPORIC-ACID-B;(4S,5S)-4-(5-CARBOXYL-UNDECYL-14-ENYL)-1-OXO-TETRAHYDROFURAN-4-CARBOXYL-ACID
SpectraBase Compound ID 80SOc3JZrgz
InChI InChI=1S/C17H26O6/c1-2-3-4-5-6-7-8-9-10-13(15(19)20)17(16(21)22)12-11-14(18)23-17/h2,13H,1,3-12H2,(H,19,20)(H,21,22)/t13-,17+/m1/s1
InChIKey RWDDRQIEJMAIIY-DYVFJYSZSA-N
Mol Weight 326.39 g/mol
Molecular Formula C17H26O6
Exact Mass 326.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ycJsvmJDuC
Name SPICULISPORIC-ACID-B;(4S,5S)-4-(5-CARBOXYL-UNDECYL-14-ENYL)-1-OXO-TETRAHYDROFURAN-4-CARBOXYL-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H26O6
InChI InChI=1S/C17H26O6/c1-2-3-4-5-6-7-8-9-10-13(15(19)20)17(16(21)22)12-11-14(18)23-17/h2,13H,1,3-12H2,(H,19,20)(H,21,22)/t13-,17+/m1/s1
InChIKey RWDDRQIEJMAIIY-DYVFJYSZSA-N
Literature Reference Author R.WANG,T.M.LIU,M.H.SHEN,M.Q.YANG,Q.Y.FENG,X.M.TANG,X.M.LI
Literature Reference Citation MOLECULES,17,13175(2012)
Literature Reference DOI 10.3390/molecules171113175
Molecular Weight 326.390 g/mol
Sample ID 1588
Solvent CD3OD