| SpectraBase Compound ID | 85cXT3hoyyz |
|---|---|
| InChI | InChI=1S/C45H76N8O14/c1-11-26(7)23-28-17-18-45(63,67-31(28)12-2)44(10,62)42(60)48-32-34(25(5)6)66-41(59)33(24(3)4)53(65)40(58)35-43(9,61)19-22-49(35)37(55)29-15-13-20-46-50(29)36(54)27(8)52(64)38(56)30-16-14-21-47-51(30)39(32)57/h24-35,46-47,61-65H,11-23H2,1-10H3,(H,48,60)/t26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,43+,44?,45+/m0/s1 |
| InChIKey | SJECZDQCXSPZOK-YMYLNMNMSA-N |
| Mol Weight | 953.1 g/mol |
| Molecular Formula | C45H76N8O14 |
| Exact Mass | 952.548099 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3AepXtXLYYC |
|---|---|
| Name | POLYOXYPEPTIN-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H74N8O14 |
| InChI | InChI=1S/C45H76N8O14/c1-11-26(7)23-28-17-18-45(63,67-31(28)12-2)44(10,62)42(60)48-32-34(25(5)6)66-41(59)33(24(3)4)53(65)40(58)35-43(9,61)19-22-49(35)37(55)29-15-13-20-46-50(29)36(54)27(8)52(64)38(56)30-16-14-21-47-51(30)39(32)57/h24-35,46-47,61-65H,11-23H2,1-10H3,(H,48,60)/t26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,43+,44?,45+/m0/s1 |
| InChIKey | SJECZDQCXSPZOK-YMYLNMNMSA-N |
| Literature Reference Author | K.UMEZAWA,K.NAKAZAWA,Y.IKEDA,H.NAGANAWA,S.KONDO |
| Literature Reference Citation | J.ORG.CHEM.,64,3034(1999) |
| Literature Reference DOI | 10.1021/jo981512n |
| Molecular Weight | 951.128 g/mol |
| Sample ID | 59212 |
| Solvent | CDCl3 |