| SpectraBase Spectrum ID |
8fQl9nvMK7z |
| Name |
3-Methoxy-2'-(4''-bromophenyl)-16.beta.,17.beta.-dihydro-4'H-[1,3]oxazino[5',6' : 16,17]estra-1,3,5(10)triene |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
479.145992208 u |
| Formula |
C27H30BrNO2 |
| InChI |
InChI=1S/C27H30BrNO2/c1-27-12-11-22-21-10-8-20(30-2)13-17(21)5-9-23(22)24(27)14-18-15-29-26(31-25(18)27)16-3-6-19(28)7-4-16/h3-4,6-8,10,13,18,22-25H,5,9,11-12,14-15H2,1-2H3/t18-,22?,23?,24?,25+,27+/m1/s1 |
| InChIKey |
IXDTWVGEMFZJPZ-VMEFYUDFSA-N |
| Molecular Weight |
480.446 g/mol |
| SMILES |
[C@]12(C(C3C(C4=C(C=C(OC)C=C4)CC3)CC1)C[C@]1([C@@]2(OC(=NC1)C1=CC=C(C=C1)Br)[H])[H])C |
![3-Methoxy-2'-(4''-bromophenyl)-16.beta.,17.beta.-dihydro-4'H-[1,3]oxazino[5',6' : 16,17]estra-1,3,5(10)triene](/api/spectrum/8fQl9nvMK7z/structure.png?h=300&w=458 "3-Methoxy-2'-(4''-bromophenyl)-16.beta.,17.beta.-dihydro-4'H-[1,3]oxazino[5',6' : 16,17]estra-1,3,5(10)triene")
