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SPIRASTRELLOLIDE_A_METHYLESTER
SpectraBase Compound ID 5rNfcKTtb6J
InChI InChI=1S/C53H83ClO17/c1-31-19-22-51-24-21-41(62-4)49(70-51)48(60)47(59)32(2)17-18-40-46(54)44(63-5)29-52(67-40)23-20-33(3)53(71-52)30-43(39(69-53)16-11-9-7-8-10-15-38(57)50(61)64-6)66-45(58)28-37-14-12-13-36(65-37)26-34(55)25-35(56)27-42(31)68-51/h8-11,19,22,31-44,46-49,55-57,59-60H,7,12-18,20-21,23-30H2,1-6H3/b10-8-,11-9+/t31-,32-,33-,34-,35-,36-,37+,38+,39-,40+,41-,42+,43-,44+,46+,47-,48-,49-,51-,52+,53+/m0/s1
InChIKey MRMBEOJFXSSQEB-ZHAKCTPBSA-N
Mol Weight 1027.7 g/mol
Molecular Formula C53H83ClO17
Exact Mass 1026.531879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8A6s3veTp7n
Name SPIRASTRELLOLIDE_A_METHYLESTER
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H83ClO17
InChI InChI=1S/C53H83ClO17/c1-31-19-22-51-24-21-41(62-4)49(70-51)48(60)47(59)32(2)17-18-40-46(54)44(63-5)29-52(67-40)23-20-33(3)53(71-52)30-43(39(69-53)16-11-9-7-8-10-15-38(57)50(61)64-6)66-45(58)28-37-14-12-13-36(65-37)26-34(55)25-35(56)27-42(31)68-51/h8-11,19,22,31-44,46-49,55-57,59-60H,7,12-18,20-21,23-30H2,1-6H3/b10-8-,11-9+/t31-,32-,33-,34-,35-,36-,37+,38+,39-,40+,41-,42+,43-,44+,46+,47-,48-,49-,51-,52+,53+/m0/s1
InChIKey MRMBEOJFXSSQEB-ZHAKCTPBSA-N
Literature Reference Author M.SUZUKI,R.UEOKA,K.TAKADA,S.OKADA,S.OHTSUKA,Y.ISE,S.MATSUNAG A
Literature Reference Citation J.NAT.PROD.,75,1192(2012)
Literature Reference DOI 10.1021/np2009576
Molecular Weight 1027.685 g/mol
Sample ID 41217
Solvent C6D6