| SpectraBase Compound ID | 2RLYIqlJtKl |
|---|---|
| InChI | InChI=1S/C40H42O13/c1-47-33-20-26(7-13-29(33)41)10-17-38(44)51-19-5-6-25-9-16-32(36(22-25)50-4)53-37(40(46)28-12-15-31(43)35(23-28)49-3)24-52-39(45)18-11-27-8-14-30(42)34(21-27)48-2/h7-18,20-23,37,40-43,46H,5-6,19,24H2,1-4H3/b17-10+,18-11+ |
| InChIKey | CXFBVHGWTGTGBR-ODPUSEOTSA-N |
| Mol Weight | 730.8 g/mol |
| Molecular Formula | C40H42O13 |
| Exact Mass | 730.262541 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AKW0aR57eAt |
|---|---|
| Name | Carolignan C (E)-isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H42O13 |
| InChI | InChI=1S/C40H42O13/c1-47-33-20-26(7-13-29(33)41)10-17-38(44)51-19-5-6-25-9-16-32(36(22-25)50-4)53-37(40(46)28-12-15-31(43)35(23-28)49-3)24-52-39(45)18-11-27-8-14-30(42)34(21-27)48-2/h7-18,20-23,37,40-43,46H,5-6,19,24H2,1-4H3/b17-10+,18-11+ |
| InChIKey | CXFBVHGWTGTGBR-ODPUSEOTSA-N |
| Molecular Weight | 730.763 g/mol |
| SMILES | Oc1c(cc(\C=C\C(OCCCc2cc(c(OC(C(c3cc(c(O)cc3)OC)O)COC(\C=C\c3cc(OC)c(cc3)O)=O)cc2)OC)=O)cc1)OC |
| SPLASH | splash10-03di-0900000000-c22a836f381ff62c2e0e |
| Source of Spectrum | F-51-12455-1 |
| Wiley ID | 794267 |