| SpectraBase Spectrum ID |
6hwM0cmxbgy |
| Name |
10-epimer-13-p-bromobenzoate-pisiferdiol |
| Alternate Name(s) |
(4aR,5R,11aS)-4a,5-dihydroxy-8-isopropyl-1,1-dimethyl-2,3,4,4a,5,10,11,11a-octahydro-1H-dibenzo[a,d]cyclohepten-7-yl 4-bromobenzoate |
| CAS Registry Number |
95263-40-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H33BrO4 |
| InChI |
InChI=1S/C27H33BrO4/c1-16(2)20-14-18-8-11-23-26(3,4)12-5-13-27(23,31)24(29)21(18)15-22(20)32-25(30)17-6-9-19(28)10-7-17/h6-7,9-10,14-16,23-24,29,31H,5,8,11-13H2,1-4H3/t23-,24+,27+/m0/s1 |
| InChIKey |
DKORYRNJLKIJMW-CLCZQPDDSA-N |
| Molecular Weight |
501.461 g/mol |
| SMILES |
O[C@]1([C@@]2([C@@](CCc3cc(c(cc13)OC(c1ccc(cc1)Br)=O)C(C)C)(C(CCC2)(C)C)[H])O)[H] |
| SPLASH |
splash10-0019-0900500000-1c60f01f4907722113e1 |
| Source of Spectrum |
F-42-535-11 |
| Wiley ID |
1398864 |
