| SpectraBase Spectrum ID |
5TGx9CjOvPS |
| Name |
Benzo[g]chrysene-1,3,4-triol, 2-bromo-1,2,3,4-tetrahydro-, 3,4-diacetate, (1.alpha.,2.beta.,3.alpha.,4.beta.)-(.+-.)- |
| Alternate Name(s) |
(+-)-3.alpha.,4.beta.-diacetoxy-2.beta.-bromo-1.alpha.-hydroxy-1,2,3,4-tetrahydrobenzo[g]chrysene
(11R,12S,13S,14R)-13-(acetyloxy)-12-bromo-11-hydroxy-11,12,13,14-tetrahydrobenzo[g]chrysen-14-yl acetate |
| CAS Registry Number |
110971-65-8 |
| 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-BKKFENPESA-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 |
splash10-006x-0097100000-d178c200195876fcdc15 |
| Source of Spectrum |
J-52-5582-25 |
| Wiley ID |
1397528 |
![Benzo[g]chrysene-1,3,4-triol, 2-bromo-1,2,3,4-tetrahydro-, 3,4-diacetate, (1.alpha.,2.beta.,3.alpha.,4.beta.)-(.+-.)-](/api/spectrum/5TGx9CjOvPS/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.alpha.,4.beta.)-(.+-.)-")
