John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=KityNhB8w2X SpectraBase Spectrum ID=2B85K5XJPne

(accessed ).
CALCARIDE-E
SpectraBase Compound ID KityNhB8w2X
InChI InChI=1S/C33H42O15/c1-16(34)7-28(40)45-17(2)8-21-12-23(35)14-25(36)30(21)32(42)48-20(5)11-29(41)46-18(3)9-22-13-24(44-6)15-26(37)31(22)33(43)47-19(4)10-27(38)39/h12-20,34-37H,7-11H2,1-6H3,(H,38,39)/t16-,17+,18-,19+,20-/m1/s1
InChIKey CMDJCHRKKBHENM-UJMXGEILSA-N
Mol Weight 678.7 g/mol
Molecular Formula C33H42O15
Exact Mass 678.252371 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2B85K5XJPne
Name CALCARIDE-E
Compound Number 10
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H42O15
InChI InChI=1S/C33H42O15/c1-16(34)7-28(40)45-17(2)8-21-12-23(35)14-25(36)30(21)32(42)48-20(5)11-29(41)46-18(3)9-22-13-24(44-6)15-26(37)31(22)33(43)47-19(4)10-27(38)39/h12-20,34-37H,7-11H2,1-6H3,(H,38,39)/t16-,17+,18-,19+,20-/m1/s1
InChIKey CMDJCHRKKBHENM-UJMXGEILSA-N
Literature Reference Author J.SILBER,B.OHLENDORF,A.LABES,A.ERHARD,J.F.IMHOFF
Literature Reference Citation MAR.DRUGS,11,3309(2013)
Literature Reference DOI 10.3390/md11093309
Molecular Weight 678.687 g/mol
Source File Reference UWBT6427
SpectraBase Batch ID 5XINl28L72Q