| SpectraBase Compound ID | 7SqzoQVEZzi |
|---|---|
| InChI | InChI=1S/C50H68N2O22/c1-18-14-31(73-33-16-29(65-9)38(55)21(4)68-33)49(63)37-36(43(60)46(71-24(7)54)50(49,64)44(18)70-23(6)53)42(59)35-26(41(37)58)11-10-25(40(35)57)28-15-30(39(56)20(3)66-28)72-34-17-48(8,62)45(22(5)69-34)74-32-13-12-27(19(2)67-32)52-47(51)61/h10-11,14,19-22,27-34,38-39,43-46,55-57,60,62-64H,12-13,15-17H2,1-9H3,(H3,51,52,61)/t19-,20+,21-,22+,27+,28?,29+,30+,31+,32+,33-,34-,38+,39?,43+,44-,45+,46+,48-,49-,50+/m1/s1 |
| InChIKey | GJZPLIQVLNQTFZ-QWRNABHXSA-N |
| Mol Weight | 1049.1 g/mol |
| Molecular Formula | C50H68N2O22 |
| Exact Mass | 1048.426372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FQ3bkbQmK1T |
|---|---|
| Name | P-371-A2 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H68N2O22 |
| InChI | InChI=1S/C50H68N2O22/c1-18-14-31(73-33-16-29(65-9)38(55)21(4)68-33)49(63)37-36(43(60)46(71-24(7)54)50(49,64)44(18)70-23(6)53)42(59)35-26(41(37)58)11-10-25(40(35)57)28-15-30(39(56)20(3)66-28)72-34-17-48(8,62)45(22(5)69-34)74-32-13-12-27(19(2)67-32)52-47(51)61/h10-11,14,19-22,27-34,38-39,43-46,55-57,60,62-64H,12-13,15-17H2,1-9H3,(H3,51,52,61)/t19-,20+,21-,22+,27+,28?,29+,30+,31+,32+,33-,34-,38+,39?,43+,44-,45+,46+,48-,49-,50+/m1/s1 |
| InChIKey | GJZPLIQVLNQTFZ-QWRNABHXSA-N |
| Literature Reference Author | S.UESATO,T.TOKUNAGA,Y.MIZUNO,H.FUJIOKA,S.KADA,H.KUWAJIMA |
| Literature Reference Citation | J.NAT.PROD.,63,787(2000) |
| Literature Reference DOI | 10.1021/np990533p |
| Molecular Weight | 1049.090 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU8251 |