| SpectraBase Spectrum ID |
HAfbn3BlRWk |
| Name |
(20.xi.)-13,17-Secodammarane-13,17-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.396730912 u |
| Formula |
C30H52O2 |
| InChI |
InChI=1S/C30H52O2/c1-21(2)11-9-12-22(3)23(31)15-19-30(8)26(32)14-13-25-28(6)18-10-17-27(4,5)24(28)16-20-29(25,30)7/h21-22,24-25H,9-20H2,1-8H3/t22-,24?,25-,28+,29-,30+/m1/s1 |
| InChIKey |
ZDURBUBPRKZOPD-YPQFHTMLSA-N |
| Molecular Weight |
444.744 g/mol |
| SMILES |
[C@]12([C@@]([C@]3(CCCC(C3CC2)(C)C)C)(CCC([C@@]1(CCC(=O)[C@@](CCCC(C)C)(C)[H])C)=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969691 |
