| SpectraBase Spectrum ID |
9T1ixfsohiX |
| Name |
17-(5-Ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[A]phenanthrene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.375601546 u |
| Formula |
C29H48 |
| InChI |
InChI=1S/C29H48/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h8,10,13,20-22,24-27H,7,9,11-12,14-19H2,1-6H3 |
| InChIKey |
ICCTZARHLGPHMT-UHFFFAOYSA-N |
| Molecular Weight |
396.703 g/mol |
| SMILES |
C1C=CC=2C(C1)(C1C(CC2)C2C(CC1)(C(CC2)C(CCC(C(C)C)CC)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900448 |
![17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene](/api/spectrum/9T1ixfsohiX/structure.png?h=300&w=458 "17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene")
