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MINUTSSAMIDE_C
SpectraBase Compound ID 9ftq9OwST6e
InChI InChI=1S/C55H89N13O16/c1-10-32(70)22-19-17-15-13-14-16-18-21-29(6)43-45(74)53(82)64-42(28(4)5)52(81)61-34(12-3)48(77)63-36(26-40(57)72)50(79)60-33(11-2)47(76)62-35(25-39(56)71)49(78)59-30(7)46(75)66-44(31(8)69)55(84)67(9)38(27-41(58)73)54(83)68-24-20-23-37(68)51(80)65-43/h11-12,28-31,35-38,42-45,69,74H,10,13-27H2,1-9H3,(H2,56,71)(H2,57,72)(H2,58,73)(H,59,78)(H,60,79)(H,61,81)(H,62,76)(H,63,77)(H,64,82)(H,65,80)(H,66,75)/b33-11+,34-12+/t29-,30+,31+,35-,36-,37-,38-,42-,43+,44-,45+/m0/s1
InChIKey HZHLPFLQTJCCHS-HFAMINCGSA-N
Mol Weight 1188.4 g/mol
Molecular Formula C55H89N13O16
Exact Mass 1187.655024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J1r7uvSXzY5
Name MINUTSSAMIDE_C
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H89N13O16
InChI InChI=1S/C55H89N13O16/c1-10-32(70)22-19-17-15-13-14-16-18-21-29(6)43-45(74)53(82)64-42(28(4)5)52(81)61-34(12-3)48(77)63-36(26-40(57)72)50(79)60-33(11-2)47(76)62-35(25-39(56)71)49(78)59-30(7)46(75)66-44(31(8)69)55(84)67(9)38(27-41(58)73)54(83)68-24-20-23-37(68)51(80)65-43/h11-12,28-31,35-38,42-45,69,74H,10,13-27H2,1-9H3,(H2,56,71)(H2,57,72)(H2,58,73)(H,59,78)(H,60,79)(H,61,81)(H,62,76)(H,63,77)(H,64,82)(H,65,80)(H,66,75)/b33-11+,34-12+/t29-,30+,31+,35-,36-,37-,38-,42-,43+,44-,45+/m0/s1
InChIKey HZHLPFLQTJCCHS-HFAMINCGSA-N
Literature Reference Author H.S.KANG,A.KRUNIC,Q.SHEN,S.M.SWANSON,J.ORJALA
Literature Reference Citation J.NAT.PROD.,74,1597(2011)
Literature Reference DOI 10.1021/np2002226
Molecular Weight 1188.389 g/mol
Sample ID 39033
Solvent DMSO-D6