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3-BETA-HYDROXY-3-DEOXYMORONIC-ACID

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3-BETA-HYDROXY-3-DEOXYMORONIC-ACID
SpectraBase Compound ID TYc0bdGMJg
InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-23,31H,8-17H2,1-7H3,(H,32,33)/t19-,21?,22-,23+,27+,28-,29-,30+/m1/s1
InChIKey RGZSSKBTFGNUCG-HTCMRERFSA-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 7O9Bs8BsTYx
Name 3-BETA-HYDROXY-3-DEOXYMORONIC-ACID
Compound Number 9
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)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-23,31H,8-17H2,1-7H3,(H,32,33)/t19-,21?,22-,23+,27+,28-,29-,30+/m1/s1
InChIKey RGZSSKBTFGNUCG-HTCMRERFSA-N
Literature Reference Author J.ITO,F.R.CHANG,H.K.WANG,Y.K.PARK,M.IKEGAKI,N.KILGORE,K.H.LE E
Literature Reference Citation J.NAT.PROD.,64,1278(2001)
Literature Reference DOI 10.1021/np010211x
Molecular Weight 456.709 g/mol
Solvent CDCl3
Source File Reference UWSI2104