| SpectraBase Compound ID | 716x8EHqoj7 |
|---|---|
| InChI | InChI=1S/C49H89N9O9/c1-20-31(12)40-49(67)57(18)39(25-30(10)11)44(62)51-33(14)42(60)53-35(21-26(2)3)47(65)55(16)37(23-28(6)7)43(61)50-32(13)41(59)54-36(22-27(4)5)48(66)56(17)38(24-29(8)9)45(63)52-34(15)46(64)58(40)19/h26-40H,20-25H2,1-19H3,(H,50,61)(H,51,62)(H,52,63)(H,53,60)(H,54,59)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1 |
| InChIKey | HHRMCEGCINMIBN-QMAXXTOWSA-N |
| Mol Weight | 948.3 g/mol |
| Molecular Formula | C49H89N9O9 |
| Exact Mass | 947.678325 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7UraFHsAevD |
|---|---|
| Name | CYLINDROCYCLIN_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H89N9O9 |
| InChI | InChI=1S/C49H89N9O9/c1-20-31(12)40-49(67)57(18)39(25-30(10)11)44(62)51-33(14)42(60)53-35(21-26(2)3)47(65)55(16)37(23-28(6)7)43(61)50-32(13)41(59)54-36(22-27(4)5)48(66)56(17)38(24-29(8)9)45(63)52-34(15)46(64)58(40)19/h26-40H,20-25H2,1-19H3,(H,50,61)(H,51,62)(H,52,63)(H,53,60)(H,54,59)/t31-,32-,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1 |
| InChIKey | HHRMCEGCINMIBN-QMAXXTOWSA-N |
| Literature Reference Author | D.WEBER,G.EROSA,O.STERNER,T.ANKE |
| Literature Reference Citation | J.ANTIBIOTICS,59,495(2006) |
| Literature Reference DOI | 10.1038/ja.2006.69 |
| Molecular Weight | 948.301 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMB114 |