| SpectraBase Compound ID | 9HGOfFltsaq |
|---|---|
| InChI | InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22-,24+,25-,26+,27+,28+,29+,30-,31-,32+,33-,34+,35-,36-,37+,38-,39+,40+,41+,42-,43+,44-,45+,46-,47+,48-,49+,50+,51-/m1/s1 |
| InChIKey | GMCGZPQYTRHQRU-ATXZZKFBSA-N |
| Mol Weight | 1065.2 g/mol |
| Molecular Formula | C51H84O23 |
| Exact Mass | 1064.540339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 54pvvLQmx9d |
|---|---|
| Name | PROTOGRACILLIN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H84O23 |
| InChI | InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22-,24+,25-,26+,27+,28+,29+,30-,31-,32+,33-,34+,35-,36-,37+,38-,39+,40+,41+,42-,43+,44-,45+,46-,47+,48-,49+,50+,51-/m1/s1 |
| InChIKey | GMCGZPQYTRHQRU-ATXZZKFBSA-N |
| Literature Reference Author | J.YIN,Y.LIU,Z.LIU,X.WANG,Y.CHEN,S.KADOTA |
| Literature Reference Citation | AS.J.TRAD.MED.,1,155(2006) |
| Molecular Weight | 1065.214 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU81304 |