| SpectraBase Compound ID | 7Qf3EVcY12f |
|---|---|
| InChI | InChI=1S/C88H102Cl2N10O27/c1-39(2)13-10-8-6-7-9-11-14-63(107)94-72-76(111)74(109)61(37-101)125-87(72)127-79-59-31-44-32-60(79)123-56-24-19-43(29-51(56)89)73(108)71-86(120)98-69(81(115)92-25-12-26-100(4)5)49-33-45(103)34-58(124-88-78(113)77(112)75(110)62(38-102)126-88)64(49)48-28-41(17-22-53(48)104)67(83(117)99-71)95-84(118)68(44)96-85(119)70-50-35-47(36-55(106)65(50)90)122-57-30-42(18-23-54(57)105)66(91-3)82(116)93-52(80(114)97-70)27-40-15-20-46(121-59)21-16-40/h15-24,28-36,39,52,61-62,66-78,87-88,91,101-106,108-113H,6-14,25-27,37-38H2,1-5H3,(H,92,115)(H,93,116)(H,94,107)(H,95,118)(H,96,119)(H,97,114)(H,98,120)(H,99,117)/t52?,61-,62+,66?,67?,68?,69?,70?,71?,72-,73?,74-,75+,76-,77-,78-,87+,88-/m0/s1 |
| InChIKey | YBHCRKSNNGPNKG-KICIHBFISA-N |
| Mol Weight | 1802.7 g/mol |
| Molecular Formula | C88H102Cl2N10O27 |
| Exact Mass | 1800.629293 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EokUBiqMeXG |
|---|---|
| Name | FREE-FORM |
| Compound Number | MDL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C88H102Cl2N10O27 |
| InChI | InChI=1S/C88H102Cl2N10O27/c1-39(2)13-10-8-6-7-9-11-14-63(107)94-72-76(111)74(109)61(37-101)125-87(72)127-79-59-31-44-32-60(79)123-56-24-19-43(29-51(56)89)73(108)71-86(120)98-69(81(115)92-25-12-26-100(4)5)49-33-45(103)34-58(124-88-78(113)77(112)75(110)62(38-102)126-88)64(49)48-28-41(17-22-53(48)104)67(83(117)99-71)95-84(118)68(44)96-85(119)70-50-35-47(36-55(106)65(50)90)122-57-30-42(18-23-54(57)105)66(91-3)82(116)93-52(80(114)97-70)27-40-15-20-46(121-59)21-16-40/h15-24,28-36,39,52,61-62,66-78,87-88,91,101-106,108-113H,6-14,25-27,37-38H2,1-5H3,(H,92,115)(H,93,116)(H,94,107)(H,95,118)(H,96,119)(H,97,114)(H,98,120)(H,99,117)/t52?,61-,62+,66?,67?,68?,69?,70?,71?,72-,73?,74-,75+,76-,77-,78-,87+,88-/m0/s1 |
| InChIKey | YBHCRKSNNGPNKG-KICIHBFISA-N |
| Literature Reference Author | M.KURZ,W.GUBA,B.P.ANDREINI |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,5874(1996) |
| Literature Reference DOI | 10.1021/ja9539397 |
| Molecular Weight | 1802.735 g/mol |
| Sample ID | 55125 |
| Solvent | DMSO-D6 |