SpectraBase Spectrum ID |
HLgDfP2ZKGE |
Name |
2H-Pyran, 2-[[(5.alpha.,17.beta.)-androstan-17-yl]oxy]tetrahydro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
360.302830526 u |
Formula |
C24H40O2 |
InChI |
InChI=1S/C24H40O2/c1-23-14-5-3-7-17(23)9-10-18-19-11-12-21(24(19,2)15-13-20(18)23)26-22-8-4-6-16-25-22/h17-22H,3-16H2,1-2H3/t17-,18+,19+,20+,21+,22?,23+,24+/m1/s1 |
InChIKey |
RKSNMBDKKOLJON-ABMPYZKSSA-N |
Molecular Weight |
360.582 g/mol |
SMILES |
C[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)[C@@](CC3)(CCCC2)[H])[H])[H])(CC[C@@]1(OC1CCCCO1)[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851497 |