| SpectraBase Spectrum ID |
4ZQ9Elav6A6 |
| Name |
4,5-(Methylenedioxy)-3,6,9-trimethyl-7-isobutylhexahydrophenalene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O2 |
| InChI |
InChI=1S/C21H30O2/c1-11(2)8-15-9-13(4)16-7-6-12(3)17-19(16)18(15)14(5)20-21(17)23-10-22-20/h11-13,15-16H,6-10H2,1-5H3/t12-,13+,15+,16-/m1/s1 |
| InChIKey |
RVBAZFZZPVTXHR-BFJAYTPKSA-N |
| Molecular Weight |
314.469 g/mol |
| SMILES |
c12c3c(c4OCOc4c2C)[C@@](CC[C@@]3([C@@](C)(C[C@@]1(CC(C)C)[H])[H])[H])(C)[H] |
| SPLASH |
splash10-0a4i-0091000000-fdcbf42f8307caef8ad2 |
| Source of Spectrum |
F-49-820-14 |
| Synonyms |
(1R,3aR,4S,6S)-6-Isobutyl-1,4,7-trimethyl-2,3,3a,4,5,6-hexahydro-1H-8,10-dioxa-cyclopenta[a]phenalene
6-isobutyl-1,4,7-trimethyl-2,3,7,7a,10a,10b-hexahydro-1H-phenaleno[1,2-d][1,3]dioxole |
| Wiley ID |
1315619 |
