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TOMENTOSIC-ACID;2-ALPHA,3-BETA,19-BETA,23-TETRAHYDROXY-OLEAN-12-EN-28-OIC-ACID
SpectraBase Compound ID 6h5VwwXSfDR
InChI InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20-,21-,22+,23-,26+,27+,28-,29-,30+/m1/s1
InChIKey IFIQVSCCFRXSJV-GCVAJSGBSA-N
Mol Weight 504.7 g/mol
Molecular Formula C30H48O6
Exact Mass 504.345089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IWDAWAnw6Pd
Name TOMENTOSIC-ACID;2-ALPHA,3-BETA,19-BETA,23-TETRAHYDROXY-OLEAN-12-EN-28-OIC-ACID
Compound Number 85
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H48O6
InChI InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20-,21-,22+,23-,26+,27+,28-,29-,30+/m1/s1
InChIKey IFIQVSCCFRXSJV-GCVAJSGBSA-N
Literature Reference Author S.B.MAHATO,A.P.KUNDU
Literature Reference Citation PHYTOCHEM.,37,1517(1994)
Literature Reference DOI 10.1016/S0031-9422(00)89569-2
Molecular Weight 504.708 g/mol
Solvent C5D5N
Source File Reference UWMS5185