| SpectraBase Spectrum ID |
54PPVfJQ3Zd |
| Name |
Benzo[g]chrysene-1,3,4-triol, 2-bromo-1,2,3,4-tetrahydro-, 3,4-diacetate, (1.alpha.,2.beta.,3.beta.,4.alpha.)-(.+-.)- |
| Alternate Name(s) |
(+,-)-3.alpha.,4.beta.-diacetoxy-2.alpha.-bromo-1.beta.-hydroxy-1,2,3,4-tetrahydrobenzo[g]chrysene
(11R,12S,13R,14R)-13-(acetyloxy)-12-bromo-11-hydroxy-11,12,13,14-tetrahydrobenzo[g]chrysen-14-yl acetate |
| CAS Registry Number |
111136-82-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H21BrO5 |
| InChI |
InChI=1S/C26H21BrO5/c1-13(28)31-25-22-20(24(30)23(27)26(25)32-14(2)29)12-11-19-17-9-4-3-7-15(17)16-8-5-6-10-18(16)21(19)22/h3-12,23-26,30H,1-2H3/t23-,24+,25+,26-/m0/s1 |
| InChIKey |
ADGDSQMLTMMCED-QUMGSSFMSA-N |
| Molecular Weight |
493.353 g/mol |
| SMILES |
O[C@]1([C@](Br)([C@@]([C@@](c2c3c(c4ccccc4c4c3cccc4)ccc12)(OC(=O)C)[H])(OC(=O)C)[H])[H])[H] |
| SPLASH |
splash10-03di-0029300000-1a43f649171802a967a0 |
| Source of Spectrum |
J-52-5582-26 |
| Wiley ID |
1397529 |
![Benzo[g]chrysene-1,3,4-triol, 2-bromo-1,2,3,4-tetrahydro-, 3,4-diacetate, (1.alpha.,2.beta.,3.beta.,4.alpha.)-(.+-.)-](/api/spectrum/54PPVfJQ3Zd/structure.png?h=300&w=458 "Benzo[g]chrysene-1,3,4-triol, 2-bromo-1,2,3,4-tetrahydro-, 3,4-diacetate, (1.alpha.,2.beta.,3.beta.,4.alpha.)-(.+-.)-")
