| SpectraBase Compound ID | 35JJ6X16Xg3 |
|---|---|
| InChI | InChI=1S/C38H48O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,42H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28-,37-,38+/m0/s1 |
| InChIKey | GIEOFSDQVMTJFV-ZKKHPGIKSA-N |
| Mol Weight | 600.8 g/mol |
| Molecular Formula | C38H48O6 |
| Exact Mass | 600.345089 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B8Q2X28j7uT |
|---|---|
| Name | (.delta.-35)-13,14-ortho-benzoquinone-guttiferone E |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H48O6 |
| InChI | InChI=1S/C38H48O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,42H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28-,37-,38+/m0/s1 |
| InChIKey | GIEOFSDQVMTJFV-ZKKHPGIKSA-N |
| Molecular Weight | 600.796 g/mol |
| SMILES | OC1=C(C(C2=CC(=O)C(C=C2)=O)=O)C([C@@]2(C([C@]1(C[C@@](C2(C)C)(CC=C(C)C)[H])C[C@@](C(=C)C)(CC=C(C)C)[H])=O)CC=C(C)C)=O |
| SPLASH | splash10-0ikj-0032954000-378f6020841f7211b21a |
| Source of Spectrum | G4-63-1076-15 |
| Wiley ID | 1608545 |