| SpectraBase Compound ID | BJxUwwwuUda |
|---|---|
| InChI | InChI=1S/C40H42O11/c1-24-21-31(48-35(43)27-15-9-6-10-16-27)34(47-26(3)42)39(23-46-25(2)41)32(49-36(44)28-17-11-7-12-18-28)22-30-33(40(24,39)51-38(30,4)5)50-37(45)29-19-13-8-14-20-29/h6-20,24,30-34H,21-23H2,1-5H3/t24-,30-,31+,32+,33-,34+,39-,40-/m1/s1 |
| InChIKey | YOWBCRNBOMRTPW-NPIRVHPYSA-N |
| Mol Weight | 698.8 g/mol |
| Molecular Formula | C40H42O11 |
| Exact Mass | 698.272712 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DUzoUdkkFw |
|---|---|
| Name | 15-ACETOXYORBICULIN_G |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H42O11 |
| InChI | InChI=1S/C40H42O11/c1-24-21-31(48-35(43)27-15-9-6-10-16-27)34(47-26(3)42)39(23-46-25(2)41)32(49-36(44)28-17-11-7-12-18-28)22-30-33(40(24,39)51-38(30,4)5)50-37(45)29-19-13-8-14-20-29/h6-20,24,30-34H,21-23H2,1-5H3/t24-,30-,31+,32+,33-,34+,39-,40-/m1/s1 |
| InChIKey | YOWBCRNBOMRTPW-NPIRVHPYSA-N |
| Literature Reference Author | J.J.CHEN,C.S.YANG,C.F.PENG,I.S.CHEN,C.L.MIAW |
| Literature Reference Citation | J.NAT.PROD.,71,1016(2008) |
| Literature Reference DOI | 10.1021/np800097t |
| Molecular Weight | 698.767 g/mol |
| Sample ID | 28074 |
| Solvent | CDCl3 |