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GRACILLIN;REFERENCE-4
SpectraBase Compound ID Ah3jVCBTMHY
InChI InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(53)34(51)31(48)21(3)56-40)38(33(50)29(17-47)59-42)60-41-37(54)35(52)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27+,28-,29-,30+,31-,32-,33-,34+,35+,36+,37-,38+,39-,40-,41+,42-,43+,44+,45-/m1/s1
InChIKey YQEMAEKYNNOCBY-KQOIMZGSSA-N
Mol Weight 885.1 g/mol
Molecular Formula C45H72O17
Exact Mass 884.476951 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BoiYunuwBOc
Name GRACILLIN;REFERENCE-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H72O17
InChI InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(53)34(51)31(48)21(3)56-40)38(33(50)29(17-47)59-42)60-41-37(54)35(52)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27+,28-,29-,30+,31-,32-,33-,34+,35+,36+,37-,38+,39-,40-,41+,42-,43+,44+,45-/m1/s1
InChIKey YQEMAEKYNNOCBY-KQOIMZGSSA-N
Literature Reference Author S.DU,W.LIU,B.LI,C.XIA
Literature Reference Citation J.CHIN.PHARM.SCI.,11,59(2002)
Molecular Weight 885.056 g/mol
Solvent C5D5N
Source File Reference UWBT7326