| SpectraBase Spectrum ID |
kTDA71j4dt |
| Name |
ent-Trachyloban-3-one |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H30O |
| InChI |
InChI=1S/C20H30O/c1-17(2)14-5-8-20-10-13-12(19(13,4)11-20)9-15(20)18(14,3)7-6-16(17)21/h12-15H,5-11H2,1-4H3/t12-,13+,14-,15+,18-,19-,20-/m1/s1 |
| InChIKey |
DVXUPVLGDAAEFK-OZLUZYOVSA-N |
| Instrument Name |
Hewlett-Packard G1800A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np900806j |
| Molecular Weight |
286.459 g/mol |
| Optical Rotation |
[a]D20 = -19.6 (c = 0.28, CHCl3) |
| SMILES |
C1C[C@@]2([C@@](C(C1=O)(C)C)(CC[C@@]13[C@]2(C[C@]2([C@](C3)(C)[C@]2(C1)[H])[H])[H])[H])C |
| SPLASH |
splash10-0arc-9630000000-21fe052653f19ad6c4cc |
| Source of Spectrum |
G4-73-662-2 |
| Wiley ID |
1872287 |
