| SpectraBase Compound ID | KLTzRSgv48i |
|---|---|
| InChI | InChI=1S/C52H75N7O14/c1-8-9-10-11-12-13-41(62)53-36(23-25-43(64)65)46(66)57-45-31(6)73-52(72)44(30(4)5)56-48(68)39(28-33-16-20-35(61)21-17-33)58(7)51(71)40(26-29(2)3)59-42(63)24-22-37(50(59)70)54-47(67)38(55-49(45)69)27-32-14-18-34(60)19-15-32/h14-21,29-31,36-40,42,44-45,60-61,63H,8-13,22-28H2,1-7H3,(H,53,62)(H,54,67)(H,55,69)(H,56,68)(H,57,66)(H,64,65)/t31-,36+,37-,38-,39-,40-,42+,44-,45-/m1/s1 |
| InChIKey | LDXXBAHTNLNWIZ-BIVWMREGSA-N |
| Mol Weight | 1022.2 g/mol |
| Molecular Formula | C52H75N7O14 |
| Exact Mass | 1021.5372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 743C1V5g1XS |
|---|---|
| Name | MICROPEPTIN_F |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H75N7O14 |
| InChI | InChI=1S/C52H75N7O14/c1-8-9-10-11-12-13-41(62)53-36(23-25-43(64)65)46(66)57-45-31(6)73-52(72)44(30(4)5)56-48(68)39(28-33-16-20-35(61)21-17-33)58(7)51(71)40(26-29(2)3)59-42(63)24-22-37(50(59)70)54-47(67)38(55-49(45)69)27-32-14-18-34(60)19-15-32/h14-21,29-31,36-40,42,44-45,60-61,63H,8-13,22-28H2,1-7H3,(H,53,62)(H,54,67)(H,55,69)(H,56,68)(H,57,66)(H,64,65)/t31-,36+,37-,38-,39-,40-,42+,44-,45-/m1/s1 |
| InChIKey | LDXXBAHTNLNWIZ-BIVWMREGSA-N |
| Literature Reference Author | T.KISUGI,T.OKINO |
| Literature Reference Citation | J.NAT.PROD.,72,777(2009) |
| Literature Reference DOI | 10.1021/np800631t |
| Molecular Weight | 1022.206 g/mol |
| Sample ID | 32496 |
| Solvent | DMSO-D6 |