| SpectraBase Compound ID | IGZnIABqiGU |
|---|---|
| InChI | InChI=1S/C31H42O5/c1-18-13-21(35-16-18)14-19(2)22-7-9-29(5)24-15-23-26(20(3)27(33)36-23)31(10-8-25(32)34-6)17-30(24,31)12-11-28(22,29)4/h13,16,19,22-24,26H,3,7-12,14-15,17H2,1-2,4-6H3/t19-,22-,23-,24+,26-,28-,29+,30+,31-/m1/s1 |
| InChIKey | XSIGSTVCMUBHQD-PDRQEGEBSA-N |
| Mol Weight | 494.7 g/mol |
| Molecular Formula | C31H42O5 |
| Exact Mass | 494.303225 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2a9Ume78FXN |
|---|---|
| Name | GARDENOIN_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H42O5 |
| InChI | InChI=1S/C31H42O5/c1-18-13-21(35-16-18)14-19(2)22-7-9-29(5)24-15-23-26(20(3)27(33)36-23)31(10-8-25(32)34-6)17-30(24,31)12-11-28(22,29)4/h13,16,19,22-24,26H,3,7-12,14-15,17H2,1-2,4-6H3/t19-,22-,23-,24+,26-,28-,29+,30+,31-/m1/s1 |
| InChIKey | XSIGSTVCMUBHQD-PDRQEGEBSA-N |
| Literature Reference Author | T.NUANYAI,S.CHOKPAIBOON,T.VILAIVAN,K.PUDHOM |
| Literature Reference Citation | J.NAT.PROD.,73,51(2010) |
| Literature Reference DOI | 10.1021/np900658t |
| Molecular Weight | 494.671 g/mol |
| Sample ID | 34346 |
| Solvent | CDCl3 |
| SpectraBase Batch ID | FiWeoba3dG6 |