![(3S,4S)-7,12-dimethyl-3,4-dihydrobenzo[a]anthracene-3,4-diol](/api/spectrum/LlkZUhYPe3e/structure.png?h=300&w=458 "(3S,4S)-7,12-dimethyl-3,4-dihydrobenzo[a]anthracene-3,4-diol")
| SpectraBase Compound ID | 25d9N1k5CC |
|---|---|
| InChI | InChI=1S/C20H18O2/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18(21)20(17)22/h3-10,18,20-22H,1-2H3/t18-,20-/m0/s1 |
| InChIKey | YZIIKMBFHLJAFT-ICSRJNTNSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C20H18O2 |
| Exact Mass | 290.13068 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LlkZUhYPe3e |
|---|---|
| Name | (3S,4S)-7,12-dimethyl-3,4-dihydrobenzo[a]anthracene-3,4-diol |
| CAS Registry Number | 68162-13-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H18O2 |
| InChI | InChI=1S/C20H18O2/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18(21)20(17)22/h3-10,18,20-22H,1-2H3/t18-,20-/m0/s1 |
| InChIKey | YZIIKMBFHLJAFT-ICSRJNTNSA-N |
| Molecular Weight | 290.362 g/mol |
| SMILES | O[C@]1(c2ccc3c(c2C=C[C@@]1(O)[H])c(c1c(c3C)cccc1)C)[H] |
| SPLASH | splash10-0006-0090000000-33565bf064a03182dae4 |
| Source of Spectrum | W5-1989-8397-1 |
| Synonyms | (3S,4S)-7,12-dimethyl-3,4-dihydrobenz[a]anthracene-3,4-diol 3,4-Dihydroxy-3,4-dihydro-7,12-dimethylbenz(a)anthracene Benz(a)anthracene, 3,4-dihydro-3,4-dihydroxy-7,12-dimethyl-, (E)- DMBA 3,4-dihydrodiol DMBA-3,4-dihydrodiol,trans- trans-3,4-dihydro-3,4-dihydroxy-7,12-dimethylbenz(a)anthracene trans-3,4-dihydro-3,4-dihydroxy-DMBA trans-7,12-dimethylbenz(a)anthracene-3,4-dihydrodiol BRN 4500017 CCRIS 992 |
| Wiley ID | 1294097 |