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ISOCLATHROSIDE_A_PERACETATE

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ISOCLATHROSIDE_A_PERACETATE
SpectraBase Compound ID Exjo7qy002F
InChI InChI=1S/C48H84O12/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-42(34-43(56-38(4)50)33-31-29-27-25-23-21-19-17-15-13-11-9-2)35-55-48-47(59-41(7)53)46(58-40(6)52)45(57-39(5)51)44(60-48)36-54-37(3)49/h34,43-48H,8-33,35-36H2,1-7H3/b42-34+/t43-,44+,45+,46-,47+,48+/m0/s1
InChIKey LFXZHFRRJBHOIP-ZKLALHDNSA-N
Mol Weight 853.2 g/mol
Molecular Formula C48H84O12
Exact Mass 852.596278 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2JqY4gqkj5u
Name ISOCLATHROSIDE_A_PERACETATE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H84O12
InChI InChI=1S/C48H84O12/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-42(34-43(56-38(4)50)33-31-29-27-25-23-21-19-17-15-13-11-9-2)35-55-48-47(59-41(7)53)46(58-40(6)52)45(57-39(5)51)44(60-48)36-54-37(3)49/h34,43-48H,8-33,35-36H2,1-7H3/b42-34+/t43-,44+,45+,46-,47+,48+/m0/s1
InChIKey LFXZHFRRJBHOIP-ZKLALHDNSA-N
Literature Reference Author V.COSTANTINO,E.FATTORUSSO,C.IMPERATORE,A.MANGONI
Literature Reference Citation J.NAT.PROD.,69,73(2006)
Literature Reference DOI 10.1021/np050331v
Molecular Weight 853.188 g/mol
Solvent CDCl3
Source File Reference UWMZ16466