| SpectraBase Compound ID | D281DHIwqWa |
|---|---|
| InChI | InChI=1S/C29H46O7/c1-18-14-24(31)11-8-12-25(32)22(5)20(3)17-28(34)36-26(16-21(4)23(6)30)19(2)10-9-13-29(7,35)27(33)15-18/h8-9,12-13,15,17,19,21-26,30-32,35H,10-11,14,16H2,1-7H3/b12-8+,13-9+,18-15-,20-17-/t19-,21-,22+,23-,24-,25-,26+,29+/m0/s1 |
| InChIKey | BJCWEMHNHLDTHU-KGFRGHSESA-N |
| Mol Weight | 506.7 g/mol |
| Molecular Formula | C29H46O7 |
| Exact Mass | 506.324354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4spRFIgGR9j |
|---|---|
| Name | IRIOMOTEOLIDE_1B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46O7 |
| InChI | InChI=1S/C29H46O7/c1-18-14-24(31)11-8-12-25(32)22(5)20(3)17-28(34)36-26(16-21(4)23(6)30)19(2)10-9-13-29(7,35)27(33)15-18/h8-9,12-13,15,17,19,21-26,30-32,35H,10-11,14,16H2,1-7H3/b12-8+,13-9+,18-15-,20-17-/t19-,21-,22+,23-,24-,25-,26+,29+/m0/s1 |
| InChIKey | BJCWEMHNHLDTHU-KGFRGHSESA-N |
| Literature Reference Author | M.TSUDA,K.OGUCHI,R.IWAMOTO,Y.OKAMOTO,E.FUKUSHI,J.KAWABATA,T. OZAWA,A.MASUDA |
| Literature Reference Citation | J.NAT.PROD.,70,1661(2007) |
| Literature Reference DOI | 10.1021/np0702537 |
| Molecular Weight | 506.680 g/mol |
| Sample ID | 31716 |
| Solvent | CDCl3 |