![Androstano[16,17-e]-2'-phenyl-3',6'-dihydro-1',2'-oxazine isomer](/api/spectrum/3DRAT3V2wcb/structure.png?h=300&w=458 "Androstano[16,17-e]-2'-phenyl-3',6'-dihydro-1',2'-oxazine isomer")
| SpectraBase Compound ID | L8kbmRsjEMO |
|---|---|
| InChI | InChI=1S/C27H37NO/c1-26-15-7-6-8-19(26)11-12-21-22(26)13-16-27(2)23-14-17-28(20-9-4-3-5-10-20)29-25(23)18-24(21)27/h3-5,9-10,14,19,21-22,24-25H,6-8,11-13,15-18H2,1-2H3/t19?,21?,22?,24?,25-,26?,27?/m0/s1 |
| InChIKey | KBWCPXTWZDEDNZ-AOUCNYSOSA-N |
| Mol Weight | 391.6 g/mol |
| Molecular Formula | C27H37NO |
| Exact Mass | 391.287515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3DRAT3V2wcb |
|---|---|
| Name | Androstano[16,17-E]-2'-phenyl-3',6'-dihydro-1',2'-oxazine isomer |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 391.287514814 u |
| Formula | C27H37NO |
| InChI | InChI=1S/C27H37NO/c1-26-15-7-6-8-19(26)11-12-21-22(26)13-16-27(2)23-14-17-28(20-9-4-3-5-10-20)29-25(23)18-24(21)27/h3-5,9-10,14,19,21-22,24-25H,6-8,11-13,15-18H2,1-2H3/t19?,21?,22?,24?,25-,26?,27?/m0/s1 |
| InChIKey | KBWCPXTWZDEDNZ-AOUCNYSOSA-N |
| Molecular Weight | 391.599 g/mol |
| SMILES | C12(C=3[C@](ON(CC3)C3=CC=CC=C3)([H])CC2C2CCC3C(C2CC1)(C)CCCC3)C |