| SpectraBase Compound ID | 4406WCiFWYA |
|---|---|
| InChI | InChI=1S/C43H76N2O13/c1-13-29-21-24(2)32(56-34-20-19-30(44(8)9)26(4)53-34)18-16-14-15-17-25(3)52-33(47)22-31(46)40(51-12)39(29)58-42-37(48)36(45(10)11)38(27(5)55-42)57-35-23-43(7,50)41(49)28(6)54-35/h14-16,18,24-32,34-42,46,48-50H,13,17,19-23H2,1-12H3/b15-14-,18-16-/t24-,25-,26-,27+,28-,29+,30+,31-,32?,34+,35-,36+,37+,38+,39+,40-,41-,42-,43+/m1/s1 |
| InChIKey | KHMFVGCYAPJHTA-KIYYFYIFSA-N |
| Mol Weight | 829.1 g/mol |
| Molecular Formula | C43H76N2O13 |
| Exact Mass | 828.534741 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C15ABC4SMZC |
|---|---|
| Name | KHMFVGCYAPJHTA-KIYYFYIFSA-N |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H76N2O13 |
| InChI | InChI=1S/C43H76N2O13/c1-13-29-21-24(2)32(56-34-20-19-30(44(8)9)26(4)53-34)18-16-14-15-17-25(3)52-33(47)22-31(46)40(51-12)39(29)58-42-37(48)36(45(10)11)38(27(5)55-42)57-35-23-43(7,50)41(49)28(6)54-35/h14-16,18,24-32,34-42,46,48-50H,13,17,19-23H2,1-12H3/b15-14-,18-16-/t24-,25-,26-,27+,28-,29+,30+,31-,32?,34+,35-,36+,37+,38+,39+,40-,41-,42-,43+/m1/s1 |
| InChIKey | KHMFVGCYAPJHTA-KIYYFYIFSA-N |
| Literature Reference Author | L.LIU,E.ROETS,R.BUSSON,A.VANKEERBERGHEN,G.JANSSEN,J.HOOGMART ENS |
| Literature Reference Citation | J.ANTIBIOTICS,49,398(1996) |
| Literature Reference DOI | 10.7164/antibiotics.49.398 |
| Molecular Weight | 829.082 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWCS22843 |