| SpectraBase Compound ID | 6CMwqq9rykA |
|---|---|
| InChI | InChI=1S/C52H86O23/c1-21(20-67-46-41(63)39(61)35(57)30(17-53)70-46)9-14-52(66-6)22(2)33-29(75-52)16-28-26-8-7-24-15-25(10-12-50(24,4)27(26)11-13-51(28,33)5)69-49-45(74-47-42(64)38(60)34(56)23(3)68-47)44(37(59)32(19-55)72-49)73-48-43(65)40(62)36(58)31(18-54)71-48/h7,21-23,25-49,53-65H,8-20H2,1-6H3/t21?,22-,23-,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-,52?/m0/s1 |
| InChIKey | LOSNTJHBTWBJCC-VXJZGKCSSA-N |
| Mol Weight | 1079.2 g/mol |
| Molecular Formula | C52H86O23 |
| Exact Mass | 1078.555989 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CgfoprklIQ |
|---|---|
| Name | METHYLPROTONEOGRACILLIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H86O23 |
| InChI | InChI=1S/C52H86O23/c1-21(20-67-46-41(63)39(61)35(57)30(17-53)70-46)9-14-52(66-6)22(2)33-29(75-52)16-28-26-8-7-24-15-25(10-12-50(24,4)27(26)11-13-51(28,33)5)69-49-45(74-47-42(64)38(60)34(56)23(3)68-47)44(37(59)32(19-55)72-49)73-48-43(65)40(62)36(58)31(18-54)71-48/h7,21-23,25-49,53-65H,8-20H2,1-6H3/t21?,22-,23-,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-,52?/m0/s1 |
| InChIKey | LOSNTJHBTWBJCC-VXJZGKCSSA-N |
| Literature Reference Author | K.HU,A.DONG,X.YAO,H.KOBAYASHI,S.IWASAKI |
| Literature Reference Citation | PLANTA.MED.,63,161(1997) |
| Literature Reference DOI | 10.1055/s-2006-957636 |
| Molecular Weight | 1079.241 g/mol |
| Solvent | C5D5N |
| Source File Reference | UIAP910 |