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2,3-seco-3-Oxoolean-12-en-2-oic acid

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2,3-seco-3-Oxoolean-12-en-2-oic acid
SpectraBase Compound ID 9cCtoE6WRtk
InChI InChI=1S/C30H48O3/c1-25(2)13-14-27(5)15-16-29(7)20(21(27)17-25)9-10-23-28(6,18-24(32)33)22(26(3,4)19-31)11-12-30(23,29)8/h9,19,21-23H,10-18H2,1-8H3,(H,32,33)/t21-,22-,23+,27+,28-,29+,30+/m0/s1
InChIKey BUXSYCWKLKUTID-CFYIDONUSA-N
Mol Weight 456.7 g/mol
Molecular Formula C30H48O3
Exact Mass 456.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1VQQQ4grcoe
Name 2,3-SECO-3-OXO-OLEAN-12-EN-2-OIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H48O3
InChI InChI=1S/C30H48O3/c1-25(2)13-14-27(5)15-16-29(7)20(21(27)17-25)9-10-23-28(6,18-24(32)33)22(26(3,4)19-31)11-12-30(23,29)8/h9,19,21-23H,10-18H2,1-8H3,(H,32,33)/t21-,22-,23+,27+,28-,29+,30+/m0/s1
InChIKey BUXSYCWKLKUTID-CFYIDONUSA-N
Literature Reference Author Y.TORIUMI,R.KAKUDA,M.KIKUCHI,Y.YAOITA,M.KIKUCHI
Literature Reference Citation CHEM.PHARM.BULL.,51,89(2003)
Literature Reference DOI 10.1248/cpb.51.89
Molecular Weight 456.709 g/mol
Solvent CDCl3
Source File Reference UWMS21056