| SpectraBase Spectrum ID |
BPvZd2V1mWR |
| Name |
3-Methoxy-2'-cyclohexyl-16.beta.,17.beta.-dihydro-4'H-[1,3]oxazino[5',6' : 16,17]estra-1,3,5(10)triene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.282429433 u |
| Formula |
C27H37NO2 |
| InChI |
InChI=1S/C27H37NO2/c1-27-13-12-22-21-11-9-20(29-2)14-18(21)8-10-23(22)24(27)15-19-16-28-26(30-25(19)27)17-6-4-3-5-7-17/h9,11,14,17,19,22-25H,3-8,10,12-13,15-16H2,1-2H3/t19-,22?,23?,24?,25+,27+/m1/s1 |
| InChIKey |
UNNSGTWSKFNQPS-AVUIMGRCSA-N |
| Molecular Weight |
407.598 g/mol |
| SMILES |
[C@]12(C(C3C(C=4C(=CC(OC)=CC4)CC3)CC1)C[C@]1([C@@]2(OC(=NC1)C1CCCCC1)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812327 |
![3-Methoxy-2'-cyclohexyl-16.beta.,17.beta.-dihydro-4'H-[1,3]oxazino[5',6' : 16,17]estra-1,3,5(10)triene](/api/spectrum/BPvZd2V1mWR/structure.png?h=300&w=458 "3-Methoxy-2'-cyclohexyl-16.beta.,17.beta.-dihydro-4'H-[1,3]oxazino[5',6' : 16,17]estra-1,3,5(10)triene")
