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17-BETA-HYDROXYCALACTIN
SpectraBase Compound ID DP9p9BSsVXH
InChI InChI=1S/C29H40O10/c1-15-9-22(31)29(35)24(37-15)38-20-10-16-3-4-19-18(26(16,14-30)12-21(20)39-29)5-6-25(2)27(33,7-8-28(19,25)34)17-11-23(32)36-13-17/h11,14-16,18-22,24,31,33-35H,3-10,12-13H2,1-2H3/t15-,16+,18+,19-,20-,21-,22-,24+,25-,26-,27-,28+,29+/m1/s1
InChIKey ZROMRLOBUYCHGL-VPZZBVMUSA-N
Mol Weight 548.6 g/mol
Molecular Formula C29H40O10
Exact Mass 548.262147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jr9Umm1z2pe
Name 17-BETA-HYDROXYCALACTIN
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H40O10
InChI InChI=1S/C29H40O10/c1-15-9-22(31)29(35)24(37-15)38-20-10-16-3-4-19-18(26(16,14-30)12-21(20)39-29)5-6-25(2)27(33,7-8-28(19,25)34)17-11-23(32)36-13-17/h11,14-16,18-22,24,31,33-35H,3-10,12-13H2,1-2H3/t15-,16+,18+,19-,20-,21-,22-,24+,25-,26-,27-,28+,29+/m1/s1
InChIKey ZROMRLOBUYCHGL-VPZZBVMUSA-N
Literature Reference Author T.WARASHINA,T.NORO
Literature Reference Citation PHYTOCHEM.,37,217(1994)
Literature Reference DOI 10.1016/0031-9422(94)85029-1
Molecular Weight 548.631 g/mol
Solvent C5D5N
Source File Reference UWLU23055