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Di-O-acetyl-calactin, (2.alpha.,3.beta.-R,5.alpha.-H)
SpectraBase Compound ID 5lrB2hVVkJd
InChI InChI=1S/C33H44O11/c1-17-11-27(41-18(2)35)33(43-19(3)36)29(40-17)42-25-13-21-5-6-24-23(31(21,16-34)14-26(25)44-33)7-9-30(4)22(8-10-32(24,30)38)20-12-28(37)39-15-20/h12,16-17,21-27,29,38H,5-11,13-15H2,1-4H3/t17-,21+,22-,23+,24-,25-,26-,27-,29+,30-,31-,32+,33+/m1/s1
InChIKey LIJNFRWJSRWARL-ZVGNTUTESA-N
Mol Weight 616.7 g/mol
Molecular Formula C33H44O11
Exact Mass 616.288362 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID hefF4XXtzK
Name DI-O-ACETYL-CALACTIN,(2-ALPHA,3-BETA-R,5-ALPHA-H)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H44O11
InChI InChI=1S/C33H44O11/c1-17-11-27(41-18(2)35)33(43-19(3)36)29(40-17)42-25-13-21-5-6-24-23(31(21,16-34)14-26(25)44-33)7-9-30(4)22(8-10-32(24,30)38)20-12-28(37)39-15-20/h12,16-17,21-27,29,38H,5-11,13-15H2,1-4H3/t17-,21+,22-,23+,24-,25-,26-,27-,29+,30-,31-,32+,33+/m1/s1
InChIKey LIJNFRWJSRWARL-ZVGNTUTESA-N
Literature Reference Author P.BROWN,J.VON_EUW,T.REICHSTEIN,K.STOECKEL,T.R.WATSON
Literature Reference Citation HELV.CHIM.ACTA,62,412(1979)
Literature Reference DOI 10.1002/hlca.19790620207
Molecular Weight 616.706 g/mol
Solvent CDCl3
Source File Reference UNIW8558