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3-ALPHA,22-BETA-DIHYDROXYOLEAN-12-EN-29-OIC-ACID
SpectraBase Compound ID BH6XJA7otTy
InChI InChI=1S/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19?,20?,21?,22-,23+,26+,27-,28+,29-,30-/m1/s1
InChIKey JTBGJQZJEYVBJZ-JURWTNLFSA-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 62P4LL1qH8w
Name 3-ALPHA,22-BETA-DIHYDROXYOLEAN-12-EN-29-OIC-ACID
Compound Number 3
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)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19?,20?,21?,22-,23+,26+,27-,28+,29-,30-/m1/s1
InChIKey JTBGJQZJEYVBJZ-JURWTNLFSA-N
Literature Reference Author H.NAKAGAWA,Y.TAKAISHI,Y.FUJIMOTO,C.DUQUE,C.GARZON,M.SATO,M.O KAMOTO,T.OSHIKAWA,S.
Literature Reference Citation J.NAT.PROD.,67,1919(2004)
Literature Reference DOI 10.1021/np040006s
Molecular Weight 472.709 g/mol
Solvent C5D5N
Source File Reference UWMZ6777