| SpectraBase Compound ID | 5PI0aO9ER8Q |
|---|---|
| InChI | InChI=1S/C38H66O10/c1-25(2)14-10-16-27(5)18-12-22-37(8,44)31(46-29(7)40)20-21-32(48-36-35(43)34(42)33(41)30(24-39)47-36)38(9,45)23-13-19-28(6)17-11-15-26(3)4/h14-15,18-19,30-36,39,41-45H,10-13,16-17,20-24H2,1-9H3/b27-18+,28-19+/t30-,31?,32?,33-,34+,35+,36+,37?,38?/m1/s1 |
| InChIKey | IULXNECTRWHKDM-FHSNOABGSA-N |
| Mol Weight | 682.9 g/mol |
| Molecular Formula | C38H66O10 |
| Exact Mass | 682.465598 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IE9skb4OAWv |
|---|---|
| Name | 14-ACETOXY-15-DIHYDROXYIRPEXAN |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H66O10 |
| InChI | InChI=1S/C38H66O10/c1-25(2)14-10-16-27(5)18-12-22-37(8,44)31(46-29(7)40)20-21-32(48-36-35(43)34(42)33(41)30(24-39)47-36)38(9,45)23-13-19-28(6)17-11-15-26(3)4/h14-15,18-19,30-36,39,41-45H,10-13,16-17,20-24H2,1-9H3/b27-18+,28-19+/t30-,31?,32?,33-,34+,35+,36+,37?,38?/m1/s1 |
| InChIKey | IULXNECTRWHKDM-FHSNOABGSA-N |
| Literature Reference Author | S.SILBERBORTH,G.ERKEL,T.ANKE,O.STERNER |
| Literature Reference Citation | J.ANTIBIOTICS,53,1137(2000) |
| Literature Reference DOI | 10.7164/antibiotics.53.1137 |
| Molecular Weight | 682.936 g/mol |
| Solvent | CDCl3 |