| SpectraBase Compound ID | DG28eMAjnOD |
|---|---|
| InChI | InChI=1S/C27H38O4/c1-16(2)21-7-9-23-26(5,22(21)8-10-24(29)30)12-11-18(4)27(23,6)15-19-14-20(28)13-17(3)25(19)31/h13-14,18,22-23H,7-12,15H2,1-6H3,(H,29,30)/t18-,22-,23+,26+,27+/m1/s1 |
| InChIKey | UKTQYWBDQDXWDJ-NTNJQHIWSA-N |
| Mol Weight | 426.6 g/mol |
| Molecular Formula | C27H38O4 |
| Exact Mass | 426.27701 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BVcSnIIUC2o |
|---|---|
| Name | Stypoquinonic acid |
| Alternate Name(s) | 3-[(1S,4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[(5-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)methyl]-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid 3-[(1S,4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[(5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid 3-[(1S,4aR,5S,6R,8aR)-2-isopropylidene-5,6,8a-trimethyl-5-[(5-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl]decalin-1-yl]propanoic acid 3-[(1S,4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[[5-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl]-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H38O4 |
| InChI | InChI=1S/C27H38O4/c1-16(2)21-7-9-23-26(5,22(21)8-10-24(29)30)12-11-18(4)27(23,6)15-19-14-20(28)13-17(3)25(19)31/h13-14,18,22-23H,7-12,15H2,1-6H3,(H,29,30)/t18-,22-,23+,26+,27+/m1/s1 |
| InChIKey | UKTQYWBDQDXWDJ-NTNJQHIWSA-N |
| Molecular Weight | 426.597 g/mol |
| SMILES | OC(CC[C@]1([C@]2([C@@]([C@](CC=3C(C(C)=CC(C3)=O)=O)(C)[C@@](CC2)(C)[H])(CCC1=C(C)C)[H])C)[H])=O |
| SPLASH | splash10-000i-0951100000-0558d9c7f8e4877b5520 |
| Source of Spectrum | G4-62-929-1 |
| Wiley ID | 1607882 |