| SpectraBase Compound ID | CcRdknQfFu2 |
|---|---|
| InChI | InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3 |
| InChIKey | QBKSWRVVCFFDOT-UHFFFAOYSA-N |
| Mol Weight | 518.56 g/mol |
| Molecular Formula | C30H30O8 |
| Exact Mass | 518.194068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JAXXidOUPUC |
|---|---|
| Name | (+)-Gossypol |
| CAS Registry Number | 20300-26-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H30O8 |
| InChI | InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3 |
| InChIKey | QBKSWRVVCFFDOT-UHFFFAOYSA-N |
| Molecular Weight | 518.562 g/mol |
| SMILES | Oc1c(c2c(c(-c3c(cc4c(c(c(c(c4c3O)C=O)O)O)C(C)C)C)c(cc2c(c1O)C(C)C)C)O)C=O |
| SPLASH | splash10-05n0-0000920000-04049ad7f2cef043effe |
| Source of Spectrum | X4-17-87-0 |
| Synonyms | 7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-yl-2-naphthalenyl)-2,3,8-trihydroxy-6-methyl-4-propan-2-yl-1-naphthalenecarboxaldehyde Gossypol 7-(8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl)-2,3,8-trihydroxy-4-isopropyl-6-methyl-naphthalene-1-carbaldehyde 7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-yl)naphthalen-2-yl]-2,3,8-trihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1-carbaldehyde 7-[8-methanoyl-3-methyl-1,6,7-tris(oxidanyl)-5-propan-2-yl-naphthalen-2-yl]-6-methyl-2,3,8-tris(oxidanyl)-4-propan-2-yl-naphthalene-1-carbaldehyde |
| Wiley ID | 1585366 |