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3-O-ACETYL-12-ALPHA-CHLORO-OLEANAN-28,13-OLIDE
SpectraBase Compound ID Ae8uO5UBpDx
InChI InChI=1S/C32H49ClO4/c1-19(34)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(33)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-24H,9-18H2,1-8H3/t20-,21+,22+,23-,24-,28-,29+,30-,31-,32+/m0/s1
InChIKey ANSHGOYVDXBEBI-KXNUYETHSA-N
Mol Weight 533.2 g/mol
Molecular Formula C32H49ClO4
Exact Mass 532.331938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AsV1q4iZVeJ
Name 3-O-ACETYL-12-ALPHA-CHLORO-OLEANAN-28,13-OLIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H49ClO4
InChI InChI=1S/C32H49ClO4/c1-19(34)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(33)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-24H,9-18H2,1-8H3/t20-,21+,22+,23-,24-,28-,29+,30-,31-,32+/m0/s1
InChIKey ANSHGOYVDXBEBI-KXNUYETHSA-N
Literature Reference Author S.OGAWA,K.HOSOI,N.IKEDA,M.MAKINO,Y.FUJIMOTO,T.IIDA
Literature Reference Citation CHEM.PHARM.BULL.,55,247(2007)
Literature Reference DOI 10.1248/cpb.55.247
Molecular Weight 533.192 g/mol
Sample ID 55421
Solvent CDCl3