| SpectraBase Compound ID | 1kcevkuYeNM |
|---|---|
| InChI | InChI=1S/C50H50O10/c1-24(2)9-12-27-17-33-41(21-37(27)51)57-23-36-31-19-35(43(54)29(13-10-25(3)4)46(31)58-48(33)36)45(56)42-34-20-39(53)44(55)30(14-11-26(5)6)47(34)59-49(42)32-18-28-15-16-50(7,8)60-40(28)22-38(32)52/h9-11,15-22,36,48,51-55H,12-14,23H2,1-8H3/t36-,48-/m0/s1 |
| InChIKey | IYUZDUFYWMTORD-RLFKZRTMSA-N |
| Mol Weight | 810.9 g/mol |
| Molecular Formula | C50H50O10 |
| Exact Mass | 810.340398 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FcfXSQb1ZGa |
|---|---|
| Name | LESPECYRTIN_H_3 |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H50O10 |
| InChI | InChI=1S/C50H50O10/c1-24(2)9-12-27-17-33-41(21-37(27)51)57-23-36-31-19-35(43(54)29(13-10-25(3)4)46(31)58-48(33)36)45(56)42-34-20-39(53)44(55)30(14-11-26(5)6)47(34)59-49(42)32-18-28-15-16-50(7,8)60-40(28)22-38(32)52/h9-11,15-22,36,48,51-55H,12-14,23H2,1-8H3/t36-,48-/m0/s1 |
| InChIKey | IYUZDUFYWMTORD-RLFKZRTMSA-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 | 810.941 g/mol |
| Sample ID | 31334 |
| Solvent | ACETONE-D6 |