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LYCERNUIC-ACID-C;3-BETA,14-ALPHA,15-ALPHA,21-BETA,29-PENTAHYDROXYSERRATANE-24-OIC-ACID
SpectraBase Compound ID LVTWlKvLK0U
InChI InChI=1S/C30H50O7/c1-25-11-8-18-26(2,13-10-22(33)29(18,5)24(35)36)17(25)6-7-19-27(3)12-9-21(32)28(4,16-31)20(27)14-23(34)30(19,37)15-25/h17-23,31-34,37H,6-16H2,1-5H3,(H,35,36)/t17-,18+,19+,20+,21+,22-,23-,25-,26+,27+,28+,29+,30+/m0/s1
InChIKey GXXMOCUQFZJZRW-MEWBIXJBSA-N
Mol Weight 522.7 g/mol
Molecular Formula C30H50O7
Exact Mass 522.355654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4PYra7XGW7S
Name LYCERNUIC-ACID-C;3-BETA,14-ALPHA,15-ALPHA,21-BETA,29-PENTAHYDROXYSERRATANE-24-OIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50O7
InChI InChI=1S/C30H50O7/c1-25-11-8-18-26(2,13-10-22(33)29(18,5)24(35)36)17(25)6-7-19-27(3)12-9-21(32)28(4,16-31)20(27)14-23(34)30(19,37)15-25/h17-23,31-34,37H,6-16H2,1-5H3,(H,35,36)/t17-,18+,19+,20+,21+,22-,23-,25-,26+,27+,28+,29+,30+/m0/s1
InChIKey GXXMOCUQFZJZRW-MEWBIXJBSA-N
Literature Reference Author Z.ZHANG,H.N.ELSOHLY,M.R.JACOB,D.S.PASCO,L.A.WALKER,A.M.CLARK
Literature Reference Citation J.NAT.PROD.,65,979(2002)
Literature Reference DOI 10.1021/np0200616
Molecular Weight 522.723 g/mol
Solvent C5D5N
Source File Reference UWSI4355