| SpectraBase Compound ID | 5ZTjeQi5Tqd |
|---|---|
| InChI | InChI=1S/C31H32O8/c1-17-13-20-14-22(34-3)29(35-4)27(33)25(20)26-21(15-23-30(31(26)36-5)38-16-37-23)28(18(17)2)39-24(32)12-11-19-9-7-6-8-10-19/h6-12,14-15,17-18,28,33H,13,16H2,1-5H3/b12-11+/t17-,18-,28-/m1/s1 |
| InChIKey | MWCNCFCBBXKOCI-CMTGZUNTSA-N |
| Mol Weight | 532.6 g/mol |
| Molecular Formula | C31H32O8 |
| Exact Mass | 532.209718 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BYhfVaEiV9i |
|---|---|
| Name | 1-Demethyl-kadsuphilin A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H32O8 |
| InChI | InChI=1S/C31H32O8/c1-17-13-20-14-22(34-3)29(35-4)27(33)25(20)26-21(15-23-30(31(26)36-5)38-16-37-23)28(18(17)2)39-24(32)12-11-19-9-7-6-8-10-19/h6-12,14-15,17-18,28,33H,13,16H2,1-5H3/b12-11+/t17-,18-,28-/m1/s1 |
| InChIKey | MWCNCFCBBXKOCI-CMTGZUNTSA-N |
| Molecular Weight | 532.589 g/mol |
| SMILES | Oc1c2-c3c([C@@]([C@@]([C@](C)(Cc2cc(c1OC)OC)[H])(C)[H])(OC(\C=C\c1ccccc1)=O)[H])cc1OCOc1c3OC |
| SPLASH | splash10-0ue9-0900000000-81c3191af55c4bc41e28 |
| Source of Spectrum | G4-69-966-4 |
| Wiley ID | 1694352 |