![7-[17'-.beta.-Hydroxy-3'-methoxy-1',3',5'(10')-estratrien-16-.beta.-yl]-methanol](/api/spectrum/6HRlZjvIGF2/structure.png?h=300&w=458 "7-[17'-.beta.-Hydroxy-3'-methoxy-1',3',5'(10')-estratrien-16-.beta.-yl]-methanol")
| SpectraBase Compound ID | 7XJQJcGPiDj |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-20-8-7-16-15-6-4-14(23-2)9-12(15)3-5-17(16)18(20)10-13(11-21)19(20)22/h4,6,9,13,16-19,21-22H,3,5,7-8,10-11H2,1-2H3/t13-,16?,17?,18?,19+,20+/m1/s1 |
| InChIKey | LFRSVHPVBIECFA-RRYXWJBZSA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6HRlZjvIGF2 |
|---|---|
| Name | 7-[17'-.beta.-Hydroxy-3'-methoxy-1',3',5'(10')-estratrien-16-.beta.-yl]-methanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.203844759 u |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-20-8-7-16-15-6-4-14(23-2)9-12(15)3-5-17(16)18(20)10-13(11-21)19(20)22/h4,6,9,13,16-19,21-22H,3,5,7-8,10-11H2,1-2H3/t13-,16?,17?,18?,19+,20+/m1/s1 |
| InChIKey | LFRSVHPVBIECFA-RRYXWJBZSA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | [C@@]12(C(C3CCC4=C(C3CC2)C=CC(OC)=C4)C[C@@]([C@@]1(O)[H])(CO)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.860816 |