![7-Chloroquinoxalino[2,3-b]cholestane](/api/spectrum/7ICP5mMJ8J4/structure.png?h=300&w=458 "7-Chloroquinoxalino[2,3-b]cholestane")
| SpectraBase Compound ID | G1hEN4F8Tc4 |
|---|---|
| InChI | InChI=1S/C33H47ClN2/c1-20(2)7-6-8-21(3)25-12-13-26-24-11-9-22-17-29-31(36-30-18-23(34)10-14-28(30)35-29)19-33(22,5)27(24)15-16-32(25,26)4/h10,14,18,20-22,24-27H,6-9,11-13,15-17,19H2,1-5H3 |
| InChIKey | KAXLONUSVSNTKG-UHFFFAOYSA-N |
| Mol Weight | 507.2 g/mol |
| Molecular Formula | C33H47ClN2 |
| Exact Mass | 506.342777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ICP5mMJ8J4 |
|---|---|
| Name | 7-Chloroquinoxalino[2,3-B]cholestane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 506.342777221 u |
| Formula | C33H47ClN2 |
| InChI | InChI=1S/C33H47ClN2/c1-20(2)7-6-8-21(3)25-12-13-26-24-11-9-22-17-29-31(36-30-18-23(34)10-14-28(30)35-29)19-33(22,5)27(24)15-16-32(25,26)4/h10,14,18,20-22,24-27H,6-9,11-13,15-17,19H2,1-5H3 |
| InChIKey | KAXLONUSVSNTKG-UHFFFAOYSA-N |
| Molecular Weight | 507.206 g/mol |
| SMILES | C12CC3=NC4=CC=C(C=C4N=C3CC1(C1C(CC2)C2CCC(C2(C)CC1)C(CCCC(C)C)C)C)Cl |