| SpectraBase Compound ID | CA0NmSFZwM |
|---|---|
| InChI | InChI=1S/C45H78O11/c1-8-33-15-12-10-11-13-17-37(48)31(5)38(49)26-35(53-7)27-39(50)32(6)44(52)30(4)18-21-43(51)54-42-28-45(55-40(20-19-33)36(42)16-14-24-46)23-22-29(3)41(56-45)25-34(47)9-2/h10-12,15,18,21,29-42,44,46-50,52H,8-9,13-14,16-17,19-20,22-28H2,1-7H3/b11-10+,15-12+,21-18+/t29-,30-,31+,32-,33-,34+,35+,36+,37+,38-,39+,40-,41-,42-,44+,45-/m0/s1 |
| InChIKey | KECXAEJZVTUDAF-JFJFIOLSSA-N |
| Mol Weight | 795.1 g/mol |
| Molecular Formula | C45H78O11 |
| Exact Mass | 794.554413 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HvwmT9fTXyJ |
|---|---|
| Name | NEOMACLAFUNGIN_C;34-METHYLNEOMACLAFUNGIN_A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H78O11 |
| InChI | InChI=1S/C45H78O11/c1-8-33-15-12-10-11-13-17-37(48)31(5)38(49)26-35(53-7)27-39(50)32(6)44(52)30(4)18-21-43(51)54-42-28-45(55-40(20-19-33)36(42)16-14-24-46)23-22-29(3)41(56-45)25-34(47)9-2/h10-12,15,18,21,29-42,44,46-50,52H,8-9,13-14,16-17,19-20,22-28H2,1-7H3/b11-10+,15-12+,21-18+/t29-,30-,31+,32-,33-,34+,35+,36+,37+,38-,39+,40-,41-,42-,44+,45-/m0/s1 |
| InChIKey | KECXAEJZVTUDAF-JFJFIOLSSA-N |
| Literature Reference Author | S.SATO,F.IWATA,S.YAMADA,M.KATAYAMA |
| Literature Reference Citation | J.NAT.PROD.,75,1974(2012) |
| Literature Reference DOI | 10.1021/np300719g |
| Molecular Weight | 795.108 g/mol |
| Sample ID | 41629 |
| Solvent | CDCl3 |