| SpectraBase Compound ID | LbF4J3Tae9A |
|---|---|
| InChI | InChI=1S/C43H48O22/c1-18-34(56-19(2)44)38(59-22(5)47)40(61-24(7)49)42(55-18)54-17-32-36(57-20(3)45)39(60-23(6)48)41(62-25(8)50)43(65-32)64-31-16-30-33(37(35(31)53-10)58-21(4)46)28(51)15-29(63-30)26-11-13-27(52-9)14-12-26/h11-16,18,32,34,36,38-43H,17H2,1-10H3/t18-,32+,34-,36+,38+,39-,40+,41+,42+,43+/m0/s1 |
| InChIKey | VFVVYMVQTPZBPL-ODHYKSPLSA-N |
| Mol Weight | 916.8 g/mol |
| Molecular Formula | C43H48O22 |
| Exact Mass | 916.263723 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2BtHgy8kH19 |
|---|---|
| Name | LINARIIN-HEXAACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H48O22 |
| InChI | InChI=1S/C43H48O22/c1-18-34(56-19(2)44)38(59-22(5)47)40(61-24(7)49)42(55-18)54-17-32-36(57-20(3)45)39(60-23(6)48)41(62-25(8)50)43(65-32)64-31-16-30-33(37(35(31)53-10)58-21(4)46)28(51)15-29(63-30)26-11-13-27(52-9)14-12-26/h11-16,18,32,34,36,38-43H,17H2,1-10H3/t18-,32+,34-,36+,38+,39-,40+,41+,42+,43+/m0/s1 |
| InChIKey | VFVVYMVQTPZBPL-ODHYKSPLSA-N |
| Literature Reference Author | H.OTSUKA |
| Literature Reference Citation | J.NAT.PROD.,55,1252(1992) |
| Literature Reference DOI | 10.1021/np50087a011 |
| Molecular Weight | 916.841 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS564 |