| SpectraBase Compound ID | GfqYefDFA7d |
|---|---|
| InChI | InChI=1S/C44H64O14/c1-12-13-14-15-16-26(2)19-28(4)21-34(24-52-29(5)45)20-27(3)17-18-38(55-32(8)48)44(10,11)39-23-36(50)40(43(51)58-39)42-41(56-33(9)49)37(54-31(7)47)22-35(57-42)25-53-30(6)46/h17-18,20-21,23,26,34-35,37-38,41-42,50H,12-16,19,22,24-25H2,1-11H3/b18-17+,27-20+,28-21-/t26?,34?,35-,37-,38?,41+,42-/m0/s1 |
| InChIKey | RXXFPUVYGVHGEY-KQGCEKHASA-N |
| Mol Weight | 817.0 g/mol |
| Molecular Formula | C44H64O14 |
| Exact Mass | 816.429607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9QNXrL45g8N |
|---|---|
| Name | 2',3',6',7,26-O-PENTAACETYL-NEOFUSAPYRONE |
| Compound Number | 1 A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H64O14 |
| InChI | InChI=1S/C44H64O14/c1-12-13-14-15-16-26(2)19-28(4)21-34(24-52-29(5)45)20-27(3)17-18-38(55-32(8)48)44(10,11)39-23-36(50)40(43(51)58-39)42-41(56-33(9)49)37(54-31(7)47)22-35(57-42)25-53-30(6)46/h17-18,20-21,23,26,34-35,37-38,41-42,50H,12-16,19,22,24-25H2,1-11H3/b18-17+,27-20+,28-21-/t26?,34?,35-,37-,38?,41+,42-/m0/s1 |
| InChIKey | RXXFPUVYGVHGEY-KQGCEKHASA-N |
| Literature Reference Author | F.HIRAMATSU,T.MIYAJIMA,T.MURAYAMA,K.TAKAHASHI,T.KOSEKI,Y.SHI NNO |
| Literature Reference Citation | J.ANTIBIOTICS,59,704(2006) |
| Literature Reference DOI | 10.1038/ja.2006.94 |
| Molecular Weight | 816.984 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR13602 |