| SpectraBase Compound ID | IFMdYKSSwum |
|---|---|
| InChI | InChI=1S/C52H91N7O13/c1-12-13-14-15-16-17-18-19-20-21-22-35-28-41(60)53-36(23-24-42(61)62)46(65)58-44(33(8)9)50(69)55-38(26-31(4)5)49(68)59-45(34(10)11)51(70)56-39(29-43(63)64)48(67)54-37(25-30(2)3)47(66)57-40(27-32(6)7)52(71)72-35/h30-40,44-45H,12-29H2,1-11H3,(H,53,60)(H,54,67)(H,55,69)(H,56,70)(H,57,66)(H,58,65)(H,59,68)(H,61,62)(H,63,64)/t35-,36+,37+,38+,39+,40+,44+,45+/m1/s1 |
| InChIKey | WRTAZMDZIVBZOD-XUFIUVFQSA-N |
| Mol Weight | 1022.3 g/mol |
| Molecular Formula | C52H91N7O13 |
| Exact Mass | 1021.667486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8CIEAgW2fB3 |
|---|---|
| Name | WRTAZMDZIVBZOD-XUFIUVFQSA-N |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H91N7O13 |
| InChI | InChI=1S/C52H91N7O13/c1-12-13-14-15-16-17-18-19-20-21-22-35-28-41(60)53-36(23-24-42(61)62)46(65)58-44(33(8)9)50(69)55-38(26-31(4)5)49(68)59-45(34(10)11)51(70)56-39(29-43(63)64)48(67)54-37(25-30(2)3)47(66)57-40(27-32(6)7)52(71)72-35/h30-40,44-45H,12-29H2,1-11H3,(H,53,60)(H,54,67)(H,55,69)(H,56,70)(H,57,66)(H,58,65)(H,59,68)(H,61,62)(H,63,64)/t35-,36+,37+,38+,39+,40+,44+,45+/m1/s1 |
| InChIKey | WRTAZMDZIVBZOD-XUFIUVFQSA-N |
| Literature Reference Author | A.ROMANO,D.VITULLO,M.SENATORE,G.LIMA,V.LANZOTTI |
| Literature Reference Citation | J.NAT.PROD.,76,2019(2013) |
| Literature Reference DOI | 10.1021/np400119n |
| Molecular Weight | 1022.334 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ43388 |