| SpectraBase Compound ID | 16g9Sh3wP9X |
|---|---|
| InChI | InChI=1S/C52H69N9O13/c1-7-28(3)42-50(72)57-36(23-32-15-11-9-12-16-32)46(68)53-27-40(64)54-30(5)45(67)55-38(25-34-19-21-35(63)22-20-34)48(70)61-44(31(6)62)52(74)60-43(29(4)8-2)51(73)58-37(24-33-17-13-10-14-18-33)47(69)56-39(26-41(65)66)49(71)59-42/h9-22,28-31,36-39,42-44,62-63H,7-8,23-27H2,1-6H3,(H,53,68)(H,54,64)(H,55,67)(H,56,69)(H,57,72)(H,58,73)(H,59,71)(H,60,74)(H,61,70)(H,65,66)/t28?,29?,30-,31?,36-,37-,38-,39-,42+,43-,44+/m0/s1 |
| InChIKey | CLIXJRVYRFANOG-GTWOPDEQSA-N |
| Mol Weight | 1028.2 g/mol |
| Molecular Formula | C52H69N9O13 |
| Exact Mass | 1027.501483 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8jUFknAc0me |
|---|---|
| Name | CHEVALIERIN_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H69N9O13 |
| InChI | InChI=1S/C52H69N9O13/c1-7-28(3)42-50(72)57-36(23-32-15-11-9-12-16-32)46(68)53-27-40(64)54-30(5)45(67)55-38(25-34-19-21-35(63)22-20-34)48(70)61-44(31(6)62)52(74)60-43(29(4)8-2)51(73)58-37(24-33-17-13-10-14-18-33)47(69)56-39(26-41(65)66)49(71)59-42/h9-22,28-31,36-39,42-44,62-63H,7-8,23-27H2,1-6H3,(H,53,68)(H,54,64)(H,55,67)(H,56,69)(H,57,72)(H,58,73)(H,59,71)(H,60,74)(H,61,70)(H,65,66)/t28?,29?,30-,31?,36-,37-,38-,39-,42+,43-,44+/m0/s1 |
| InChIKey | CLIXJRVYRFANOG-GTWOPDEQSA-N |
| Literature Reference Author | C.BARAGUEY,C.AUVIN-GUETTE,A.BLOND,F.CAVELIER,F.LEZENVEN,J.L. POUSSET,B.BODO |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3033(1998) |
| Literature Reference DOI | 10.1039/a804003f |
| Molecular Weight | 1028.172 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ6235 |