| SpectraBase Compound ID | EH57jarbk6p |
|---|---|
| InChI | InChI=1S/C21H27N3O3/c1-12(25)27-20-19(23-24-22)11-18-17-6-4-13-10-14(26-3)5-7-15(13)16(17)8-9-21(18,20)2/h5,7,10,16-20H,4,6,8-9,11H2,1-3H3/t16-,17-,18+,19-,20+,21+/m1/s1 |
| InChIKey | UVUNCEQSHYAYCG-YQPXSLGVSA-N |
| Mol Weight | 369.47 g/mol |
| Molecular Formula | C21H27N3O3 |
| Exact Mass | 369.205242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JF7smBP5QF6 |
|---|---|
| Name | 16-ALPHA-AZIDO-3-METHOXYESTRA-1,3,5(10)-TRIEN-17-BETA-YL-ACETAT |
| Compound Number | 398 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H27N3O3 |
| InChI | InChI=1S/C21H27N3O3/c1-12(25)27-20-19(23-24-22)11-18-17-6-4-13-10-14(26-3)5-7-15(13)16(17)8-9-21(18,20)2/h5,7,10,16-20H,4,6,8-9,11H2,1-3H3/t16-,17-,18+,19-,20+,21+/m1/s1 |
| InChIKey | UVUNCEQSHYAYCG-YQPXSLGVSA-N |
| Literature Reference Author | J.W.BLUNT,J.B.STOTHERS |
| Literature Reference Citation | ORG.MAGN.RES.,9,439(1977) |
| Literature Reference DOI | 10.1002/mrc.1270090802 |
| Molecular Weight | 369.464 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW4053 |