| SpectraBase Compound ID | 2ZdUWcOLLZY |
|---|---|
| InChI | InChI=1S/C45H62N12O12/c1-23-37(62)53-32(22-35(46)61)44(69)57-19-4-7-33(57)40(65)51-29(6-3-17-49-45(47)48)38(63)54-31(21-26-11-15-28(60)16-12-26)43(68)56-18-5-8-34(56)41(66)52-30(20-25-9-13-27(59)14-10-25)39(64)55-36(24(2)58)42(67)50-23/h9-16,23-24,29-34,36,58-60H,3-8,17-22H2,1-2H3,(H2,46,61)(H,50,67)(H,51,65)(H,52,66)(H,53,62)(H,54,63)(H,55,64)(H4,47,48,49)/t23-,24+,29-,30-,31-,32-,33-,34-,36-/m0/s1 |
| InChIKey | QJCLMDOTVMDUCX-ACOBSCFGSA-N |
| Mol Weight | 963.1 g/mol |
| Molecular Formula | C45H62N12O12 |
| Exact Mass | 962.461015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6IyecXFQNNF |
|---|---|
| Name | CYClONELLIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H62N12O12 |
| InChI | InChI=1S/C45H62N12O12/c1-23-37(62)53-32(22-35(46)61)44(69)57-19-4-7-33(57)40(65)51-29(6-3-17-49-45(47)48)38(63)54-31(21-26-11-15-28(60)16-12-26)43(68)56-18-5-8-34(56)41(66)52-30(20-25-9-13-27(59)14-10-25)39(64)55-36(24(2)58)42(67)50-23/h9-16,23-24,29-34,36,58-60H,3-8,17-22H2,1-2H3,(H2,46,61)(H,50,67)(H,51,65)(H,52,66)(H,53,62)(H,54,63)(H,55,64)(H4,47,48,49)/t23-,24+,29-,30-,31-,32-,33-,34-,36-/m0/s1 |
| InChIKey | QJCLMDOTVMDUCX-ACOBSCFGSA-N |
| Literature Reference Author | D.J.MILANOWSKI,M.A.RASHID,K.R.GUSTAFSON,B.R.OKEEFE,J.P.NAWRO CKI,L.K.PANNELL,M.R. |
| Literature Reference Citation | J.NAT.PROD.,67,441(2004) |
| Literature Reference DOI | 10.1021/np030336x |
| Molecular Weight | 963.060 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWKP4190 |