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SPINOSIC-ACID
SpectraBase Compound ID 9aceU67KfbR
InChI InChI=1S/C30H48O4/c1-25(2)14-16-30(24(33)34)17-15-28(6)18(22(30)23(25)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
InChIKey KFALHTDSQSJCFC-LLICELPBSA-N
Mol Weight 472.7 g/mol
Molecular Formula C30H48O4
Exact Mass 472.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FkzESTXXuGb
Name 3-BETA,19-ALPHA-DIHYDROXYOLEAN-12-EN-28-OIC-ACID
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H48O4
InChI InChI=1S/C30H48O4/c1-25(2)14-16-30(24(33)34)17-15-28(6)18(22(30)23(25)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
InChIKey KFALHTDSQSJCFC-LLICELPBSA-N
Literature Reference Author Y.MIMAKI,M.FUKUSHIMA,A.YOKOSUKA,Y.SASHIDA,S.FURUYA,H.SAKAGAM I
Literature Reference Citation PHYTOCHEM.,57,773(2001)
Literature Reference DOI 10.1016/S0031-9422(01)00083-8
Molecular Weight 472.709 g/mol
Solvent C5D5N
Source File Reference UWVN2346