Account 17β-HSD1-IN-2
- Catalog No. :
- ACYKQO233
- CAS No. :
- 1318265-18-7
- Molecular Formula :
- C28H34BrNO2
- Molecular Weight :
- 496.49
IUPAC Name:3-(((8R,9S,13S,14S,16R,17S)-3-(2-bromoethyl)-17-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)methyl)benzamide
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Product Information
| Product Name | 17β-HSD1-IN-2 |
|---|---|
| IUPAC Name | 3-(((8R,9S,13S,14S,16R,17S)-3-(2-bromoethyl)-17-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)methyl)benzamide |
| Molecular Formula | C28H34BrNO2 |
| Molecular Weight | 496.49 |
| SMILES | O=C(N)C1=CC=CC(C[C@H]2C[C@@]3([H])[C@]4([H])CCC5=CC(CCBr)=CC=C5[C@@]4([H])CC[C@]3(C)[C@H]2O)=C1 |
| InChI Key | LSFSILMVQQMGRP-OPRSCSRJSA-N |
| Synonym | Benzamide, 3-[[(16β,17β)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl]-;PBRM |
| CAS No. | 1318265-18-7 |
Synthetic Route by SureRoute
2. ACYKQO233 Molecular Building Block Synthetic Route
(1R,4AS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-ol
(7R,8R,9S,13S,14S,17S)-7-(9-Bromononyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
(8R,9S,13S,14S,17R)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol