| SpectraBase Compound ID | DuDTTAUau4c |
|---|---|
| InChI | InChI=1S/C80H112Br2N20O22S/c1-11-80(7,8)65(99-73(115)57-19-15-31-102(57)76(118)54(94-66(108)41(4)90-39-103)33-45-22-26-48(82)27-23-45)75(117)96-62(40(2)3)74(116)93-53(34-46-36-88-50-17-13-12-16-49(46)50)68(110)91-51(18-14-30-87-79(85)86)67(109)95-55(38-125(121,122)123)70(112)98-64-43(6)124-61(107)37-89-71(113)58(35-60(84)106)101(10)77(119)63(42(5)104)97-69(111)52(32-44-20-24-47(81)25-21-44)92-72(114)56(28-29-59(83)105)100(9)78(64)120/h12-13,16-17,20-27,36,39-43,51-58,62-65,88,104H,11,14-15,18-19,28-35,37-38H2,1-10H3,(H2,83,105)(H2,84,106)(H,89,113)(H,90,103)(H,91,110)(H,92,114)(H,93,116)(H,94,108)(H,95,109)(H,96,117)(H,97,111)(H,98,112)(H,99,115)(H4,85,86,87)(H,121,122,123) |
| InChIKey | GBNMVMAUEMBTAU-UHFFFAOYSA-N |
| Mol Weight | 1897.8 g/mol |
| Molecular Formula | C80H112Br2N20O22S |
| Exact Mass | 1894.634752 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ydL6BzsRBH |
|---|---|
| Name | CORTICIAMIDE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C80H112Br2N20O22S |
| InChI | InChI=1S/C80H112Br2N20O22S/c1-11-80(7,8)65(99-73(115)57-19-15-31-102(57)76(118)54(94-66(108)41(4)90-39-103)33-45-22-26-48(82)27-23-45)75(117)96-62(40(2)3)74(116)93-53(34-46-36-88-50-17-13-12-16-49(46)50)68(110)91-51(18-14-30-87-79(85)86)67(109)95-55(38-125(121,122)123)70(112)98-64-43(6)124-61(107)37-89-71(113)58(35-60(84)106)101(10)77(119)63(42(5)104)97-69(111)52(32-44-20-24-47(81)25-21-44)92-72(114)56(28-29-59(83)105)100(9)78(64)120/h12-13,16-17,20-27,36,39-43,51-58,62-65,88,104H,11,14-15,18-19,28-35,37-38H2,1-10H3,(H2,83,105)(H2,84,106)(H,89,113)(H,90,103)(H,91,110)(H,92,114)(H,93,116)(H,94,108)(H,95,109)(H,96,117)(H,97,111)(H,98,112)(H,99,115)(H4,85,86,87)(H,121,122,123) |
| InChIKey | GBNMVMAUEMBTAU-UHFFFAOYSA-N |
| Literature Reference Author | D.W.LAIRD,D.V.LABARBERA,X.FENG,T.S.BUGNI,M.K.HARPER,C.M.IREL AND |
| Literature Reference Citation | J.NAT.PROD.,70,741(2007) |
| Literature Reference DOI | 10.1021/np060489v |
| Molecular Weight | 1897.758 g/mol |
| Sample ID | 30218 |
| Solvent | CD3CN:DME-D10 |