| SpectraBase Compound ID | 6YiUUTSq5CC |
|---|---|
| InChI | InChI=1S/C42H46O5/c1-25-6-4-8-28-15-33(14-27(3)10-11-30-19-38(45)31(12-25)20-37(30)44)41(24-43)22-35-17-29-9-5-7-26(2)13-32-21-39(46)42(35,23-34(41)16-28)36(18-29)40(32)47/h6-7,10,15,17,19-21,24,33-36H,4-5,8-9,11-14,16,18,22-23H2,1-3H3/b25-6-,26-7-,27-10+/t33-,34+,35+,36?,41-,42-/m1/s1 |
| InChIKey | XAOPIXYTATVACB-FEPFFMPBSA-N |
| Mol Weight | 630.8 g/mol |
| Molecular Formula | C42H46O5 |
| Exact Mass | 630.334525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EDIR0t2Gcx9 |
|---|---|
| Name | LONGITHORONE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H46O5 |
| InChI | InChI=1S/C42H46O5/c1-25-6-4-8-28-15-33(14-27(3)10-11-30-19-38(45)31(12-25)20-37(30)44)41(24-43)22-35-17-29-9-5-7-26(2)13-32-21-39(46)42(35,23-34(41)16-28)36(18-29)40(32)47/h6-7,10,15,17,19-21,24,33-36H,4-5,8-9,11-14,16,18,22-23H2,1-3H3/b25-6-,26-7-,27-10+/t33-,34+,35+,36?,41-,42-/m1/s1 |
| InChIKey | XAOPIXYTATVACB-FEPFFMPBSA-N |
| Literature Reference Author | X.FU,M.B.HOSSAIN,F.J.SCHMITZ,D.VANDERHELM |
| Literature Reference Citation | J.ORG.CHEM.,62,3810(1997) |
| Literature Reference DOI | 10.1021/jo9702204 |
| Molecular Weight | 630.824 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWMZ4221 |