| SpectraBase Compound ID | AuOuqIErq2Q |
|---|---|
| InChI | InChI=1S/C35H52O7/c1-22(13-12-18-32(4,5)41-11)26(39-9)15-14-23(2)30-25(37)21-28-33(6)20-17-29(42-24(3)36)35(8,31(38)40-10)27(33)16-19-34(28,30)7/h12-15,18,26-29H,16-17,19-21H2,1-11H3/b15-14+,18-12+,22-13+,30-23-/t26?,27-,28?,29-,33+,34+,35-/m1/s1 |
| InChIKey | YTVXOJFUZQTPPN-COYFXRFJSA-N |
| Mol Weight | 584.8 g/mol |
| Molecular Formula | C35H52O7 |
| Exact Mass | 584.371304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I3H29C3d1ZN |
|---|---|
| Name | METHYLESTER-OF-GLOBOSTELLATIC-ACID-E |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H52O7 |
| InChI | InChI=1S/C35H52O7/c1-22(13-12-18-32(4,5)41-11)26(39-9)15-14-23(2)30-25(37)21-28-33(6)20-17-29(42-24(3)36)35(8,31(38)40-10)27(33)16-19-34(28,30)7/h12-15,18,26-29H,16-17,19-21H2,1-11H3/b15-14+,18-12+,22-13+,30-23-/t26?,27-,28?,29-,33+,34+,35-/m1/s1 |
| InChIKey | YTVXOJFUZQTPPN-COYFXRFJSA-N |
| Literature Reference Author | A.ZAMPELLA,M.V.DAURIA,C.DEBITUS,J.L.MENOU |
| Literature Reference Citation | J.NAT.PROD.,63,943(2000) |
| Literature Reference DOI | 10.1021/np000088u |
| Molecular Weight | 584.794 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU8559 |