| SpectraBase Compound ID | 4SLmZ5Au2ZA |
|---|---|
| InChI | InChI=1S/C28H36O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h7-8,14-15,21,24,31-32H,9-13H2,1-6H3/t15-,21-,24-,25+,26-,27-,28+/m1/s1 |
| InChIKey | QIRUFAFQGKOTKA-ZRWKYKNNSA-N |
| Mol Weight | 436.6 g/mol |
| Molecular Formula | C28H36O4 |
| Exact Mass | 436.26136 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3X0YFAKTpfY |
|---|---|
| Name | (6aS,6bS,8aR,9S,11R,12aS,14aR)-3,9-dihydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione |
| CAS Registry Number | 50656-68-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H36O4 |
| InChI | InChI=1S/C28H36O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h7-8,14-15,21,24,31-32H,9-13H2,1-6H3/t15-,21-,24-,25+,26-,27-,28+/m1/s1 |
| InChIKey | QIRUFAFQGKOTKA-ZRWKYKNNSA-N |
| Molecular Weight | 436.592 g/mol |
| SMILES | O[C@@]1(C([C@@](C[C@@]2([C@]1(CC[C@@]1(C=3[C@](C4=CC(C(=C(C4=CC3)C)O)=O)(CC[C@@]21C)C)C)C)[H])(C)[H])=O)[H] |
| SPLASH | splash10-000i-0050900000-35343e77da13313bf5e4 |
| Source of Spectrum | F-45-5876-3 |
| Synonyms | (6aS,6bS,8aR,9S,11R,12aS,14aR)-3,9-dihydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-quinone (6aS,6bS,8aR,9S,11R,12aS,14aR)-4,6a,6b,8a,11,14a-hexamethyl-3,9-bis(oxidanyl)-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione 22-Hydroxytingenone D:a-friedo-24,30-dinoroleana-1(10),3,5,7-tetraene-2,21-dione, 3,22-dihydroxy-, (20beta,22beta)- Tingenin B |
| Wiley ID | 1383657 |