SpectraBase Spectrum ID |
FbI9BJj1tnU |
Name |
Gorgostane, (5.alpha.)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
412.406901674 u |
Formula |
C30H52 |
InChI |
InChI=1S/C30H52/c1-19(2)21(4)30(7)18-27(30)20(3)24-13-14-25-23-12-11-22-10-8-9-16-28(22,5)26(23)15-17-29(24,25)6/h19-27H,8-18H2,1-7H3 |
InChIKey |
HMDSENZCYXUARJ-UHFFFAOYSA-N |
Molecular Weight |
412.746 g/mol |
SMILES |
CC12C(C3C(CC2)C2(C)C(CC3)CCCC2)CCC1C(C)C1C(C(C(C)C)C)(C)C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855799 |