| SpectraBase Spectrum ID |
2QjOJzpTWCz |
| Name |
Cyclopenta[H]-2-benzopyran-6(1H)-one, decahydro-1-hydroxy-4A,6A-dimethyl-9-(1-methylethyl)-3-(2-oxopropyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.230059506 u |
| Formula |
C20H32O4 |
| InChI |
InChI=1S/C20H32O4/c1-11(2)14-6-7-20(5)15(22)10-19(4)9-13(8-12(3)21)24-18(23)17(19)16(14)20/h11,13-14,16-18,23H,6-10H2,1-5H3/t13-,14-,16?,17?,18+,19+,20+/m1/s1 |
| InChIKey |
RXLHDOHXSHRPQY-QOOMENRDSA-N |
| Molecular Weight |
336.472 g/mol |
| SMILES |
[C@@]12(C(C3[C@](O[C@@](C[C@]3(CC2=O)C)(CC(=O)C)[H])(O)[H])[C@@](C(C)C)(CC1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962566 |
![Cyclopenta[h]-2-benzopyran-6(1H)-one, decahydro-1-hydroxy-4a,6a-dimethyl-9-(1-methylethyl)-3-(2-oxopropyl)-](/api/spectrum/2QjOJzpTWCz/structure.png?h=300&w=458 "Cyclopenta[h]-2-benzopyran-6(1H)-one, decahydro-1-hydroxy-4a,6a-dimethyl-9-(1-methylethyl)-3-(2-oxopropyl)-")
