| SpectraBase Compound ID | K2GxbZDp6Et |
|---|---|
| InChI | InChI=1S/C50H54O9/c1-25(2)9-13-29-17-37(42(53)22-40(29)51)49-34(36-21-43(54)46(56)33(48(36)58-49)16-12-28(7)8)19-31-20-35-39-24-57-44-23-41(52)30(14-10-26(3)4)18-38(44)50(39)59-47(35)32(45(31)55)15-11-27(5)6/h9-12,17-18,20-23,39,50-56H,13-16,19,24H2,1-8H3/t39-,50-/m0/s1 |
| InChIKey | ACAJJERRPMQMTK-JNDMVHLXSA-N |
| Mol Weight | 799.0 g/mol |
| Molecular Formula | C50H54O9 |
| Exact Mass | 798.376783 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AcCFAdr0av6 |
|---|---|
| Name | LESPECYRTIN_H_1 |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H54O9 |
| InChI | InChI=1S/C50H54O9/c1-25(2)9-13-29-17-37(42(53)22-40(29)51)49-34(36-21-43(54)46(56)33(48(36)58-49)16-12-28(7)8)19-31-20-35-39-24-57-44-23-41(52)30(14-10-26(3)4)18-38(44)50(39)59-47(35)32(45(31)55)15-11-27(5)6/h9-12,17-18,20-23,39,50-56H,13-16,19,24H2,1-8H3/t39-,50-/m0/s1 |
| InChIKey | ACAJJERRPMQMTK-JNDMVHLXSA-N |
| Literature Reference Author | M.MORI-HONGO,H.YAMAGUCHI,T.WARASHINA,T.MIYASE |
| Literature Reference Citation | J.NAT.PROD.,72,63(2009) |
| Literature Reference DOI | 10.1021/np800535g |
| Molecular Weight | 798.973 g/mol |
| Sample ID | 31332 |
| Solvent | ACETONE-D6 |