| SpectraBase Spectrum ID |
BnLgYgkEssT |
| Name |
(1S*,11S*,12S*,15R*)-1-(Methoxycarbonyl)-12-methyl-17-oxatricyclo[9.4.1.1(12,15)]heptadecan-16-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.214409442 u |
| Formula |
C19H30O4 |
| InChI |
InChI=1S/C19H30O4/c1-18-13-11-15(23-18)19(17(21)22-2)12-9-7-5-3-4-6-8-10-14(18)16(19)20/h14-15H,3-13H2,1-2H3/t14-,15-,18+,19+/m1/s1 |
| InChIKey |
LDBQQEPETDAFAU-LTDCPUDJSA-N |
| Molecular Weight |
322.445 g/mol |
| SMILES |
[C@@]12(C([C@@](CCCCCCCCC2)([C@]2(O[C@@]1(CC2)[H])C)[H])=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870888 |
![(1S*,11S*,12S*,15R*)-1-(Methoxycarbonyl)-12-methyl-17-oxatricyclo[9.4.1.1(12,15)]heptadecan-16-one](/api/spectrum/BnLgYgkEssT/structure.png?h=300&w=458 "(1S*,11S*,12S*,15R*)-1-(Methoxycarbonyl)-12-methyl-17-oxatricyclo[9.4.1.1(12,15)]heptadecan-16-one")
