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BELLERICAGENIN-A;2-ALPHA,3-BETA,7-ALPHA,23-TETRAHYDROXY-OLEAN-12-EN-28-OIC-ACID
SpectraBase Compound ID 5mMYjgcl66H
InChI InChI=1S/C30H48O6/c1-25(2)9-11-30(24(35)36)12-10-28(5)17(18(30)14-25)7-8-20-26(3)15-19(32)23(34)27(4,16-31)21(26)13-22(33)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-/m0/s1
InChIKey ALRKHWWSWMFBNQ-HFMPVVHUSA-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 BJoXFw6HrYm
Name BELLERICAGENIN-A;2-ALPHA,3-BETA,7-ALPHA,23-TETRAHYDROXY-OLEAN-12-EN-28-OIC-ACID
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)9-11-30(24(35)36)12-10-28(5)17(18(30)14-25)7-8-20-26(3)15-19(32)23(34)27(4,16-31)21(26)13-22(33)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-/m0/s1
InChIKey ALRKHWWSWMFBNQ-HFMPVVHUSA-N
Literature Reference Author Y.L.Z.ZUCARO,R.S.COMPAGNONE,S.C.HESS,F.D.MONACHE
Literature Reference Citation J.BRAZ.CHEM.SOC.,11,241(2000)
Literature Reference DOI 10.1590/s0103-50532000000300007
Molecular Weight 504.708 g/mol
Solvent C5D5N
Source File Reference UWMS5658