| SpectraBase Compound ID | 6Ac0a40xFPx |
|---|---|
| InChI | InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31?,34-,35-,36+,37-/m1/s1 |
| InChIKey | QIVLWPIJESKEMW-AXPJUASXSA-N |
| Mol Weight | 584.9 g/mol |
| Molecular Formula | C37H60O5 |
| Exact Mass | 584.444075 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KI1fU0L3b9n |
|---|---|
| Name | CRYPTOMERIDIOL-4-YL-19-ACETOXY-LABDA-8(17),13E-DIEN-19-OATE |
| Compound Number | 26 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H60O5 |
| InChI | InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31?,34-,35-,36+,37-/m1/s1 |
| InChIKey | QIVLWPIJESKEMW-AXPJUASXSA-N |
| Literature Reference Author | W.C.SU,J.M.FANG,Y.S.CHENG |
| Literature Reference Citation | PHYTOCHEM.,37,1109(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89538-2 |
| Molecular Weight | 584.880 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU24026 |