| SpectraBase Compound ID | AdzMA7sNTvX |
|---|---|
| InChI | InChI=1S/C30H50O5/c1-17(14-20(32)24(34)26(4,5)35)18-8-10-28(7)23-19(31)15-21-25(2,3)22(33)9-11-29(21)16-30(23,29)13-12-27(18,28)6/h17-21,23-24,31-32,34-35H,8-16H2,1-7H3/t17-,18-,19+,20+,21+,23+,24+,27-,28+,29-,30+/m1/s1 |
| InChIKey | SOMSTXFUASXCDL-WCQTVWDLSA-N |
| Mol Weight | 490.7 g/mol |
| Molecular Formula | C30H50O5 |
| Exact Mass | 490.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9lfIP3NegI4 |
|---|---|
| Name | COMBRETANONE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50O5 |
| InChI | InChI=1S/C30H50O5/c1-17(14-20(32)24(34)26(4,5)35)18-8-10-28(7)23-19(31)15-21-25(2,3)22(33)9-11-29(21)16-30(23,29)13-12-27(18,28)6/h17-21,23-24,31-32,34-35H,8-16H2,1-7H3/t17-,18-,19+,20+,21+,23+,24+,27-,28+,29-,30+/m1/s1 |
| InChIKey | SOMSTXFUASXCDL-WCQTVWDLSA-N |
| Literature Reference Author | K.TOUME,T.NAKAZAWA,T.OHTSUKI,M.A.ARAI,T.KOYANO,T.KOWITHAYAKO RN,M.ISHIBASHI |
| Literature Reference Citation | J.NAT.PROD.,74,249(2011) |
| Literature Reference DOI | 10.1021/np100784t |
| Molecular Weight | 490.724 g/mol |
| Sample ID | 37489 |
| Solvent | CDCl3 |