| SpectraBase Compound ID | djNTTXPV8E |
|---|---|
| InChI | InChI=1S/C42H64O12.Na/c1-9-29(45)32-14-15-33(52-32)42(7)18-24(5)30(54-42)12-10-21(2)39-22(3)11-13-31(53-39)27(19-43)17-26-16-23(4)36(46)28(20-44)34(26)40(50-8)38(48)35-37(47)25(6)51-41(35)49;/h10,17,22-24,26,28-36,39-40,43-46H,6,9,11-16,18-20H2,1-5,7-8H3;/q;+1/b21-10+,27-17+;/t22-,23+,24+,26+,28-,29+,30-,31+,32-,33+,34+,35?,36+,39+,40-,42-;/m0./s1 |
| InChIKey | GCFMAKUNRSGUFQ-FYJCAEPUSA-N |
| Mol Weight | 784.0 g/mol |
| Molecular Formula | C42H64NaO12 |
| Exact Mass | 783.429547 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AyhoWlt4ix |
|---|---|
| Name | SF-2487-SODIUM-SALT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H64NaO12 |
| InChI | InChI=1S/C42H64O12.Na/c1-9-29(45)32-14-15-33(52-32)42(7)18-24(5)30(54-42)12-10-21(2)39-22(3)11-13-31(53-39)27(19-43)17-26-16-23(4)36(46)28(20-44)34(26)40(50-8)38(48)35-37(47)25(6)51-41(35)49;/h10,17,22-24,26,28-36,39-40,43-46H,6,9,11-16,18-20H2,1-5,7-8H3;/q;+1/b21-10+,27-17+;/t22-,23+,24+,26+,28-,29+,30-,31+,32-,33+,34+,35?,36+,39+,40-,42-;/m0./s1 |
| InChIKey | GCFMAKUNRSGUFQ-FYJCAEPUSA-N |
| Literature Reference Author | M.HATSU,T.SASAKI,S.MIYADOH,H.O.WATABE,Y.TAKEUCHI,Y.KODAMA,Y. ORIKASA,K.KAJII,T.SH |
| Literature Reference Citation | J.ANTIBIOTICS,43,259(1990) |
| Literature Reference DOI | 10.7164/antibiotics.43.259 |
| Molecular Weight | 783.953 g/mol |
| Sample ID | 65836 |
| Solvent | CDCl3 |