| SpectraBase Spectrum ID |
EKtE3XXmOf3 |
| Name |
(4S,8R)-1-[(2S)-6-methoxy-2,5,7,8-tetramethyl-chroman-2-yl]-4,8,12-trimethyl-tridecan-2-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H50O3 |
| InChI |
InChI=1S/C30H50O3/c1-20(2)12-10-13-21(3)14-11-15-22(4)18-26(31)19-30(8)17-16-27-25(7)28(32-9)23(5)24(6)29(27)33-30/h20-22H,10-19H2,1-9H3/t21-,22+,30+/m1/s1 |
| InChIKey |
VPSZQTZTBWGOBS-DGIFUFQNSA-N |
| Instrument Name |
Agilent HP6890-5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201900564 |
| Molecular Weight |
458.727 g/mol |
| Optical Rotation |
[a]D20 = 9.35 (589 nm) |
| SMILES |
COc1c(C)c(C)c2c(CC[C@](O2)(CC(C[C@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])=O)C)c1C |
| SPLASH |
splash10-0lfu-5490300000-74174e9bae7780cffef2 |
| Source of Spectrum |
QE-25-SM36-dia-23 |
| Thin-Layer Chromatography |
Rf = 0.56 (SiO2, cHex/EtOAc, 10:1) |
| Wiley ID |
1848543 |
![(4S,8R)-1-[(2S)-6-methoxy-2,5,7,8-tetramethyl-chroman-2-yl]-4,8,12-trimethyl-tridecan-2-one](/api/spectrum/EKtE3XXmOf3/structure.png?h=300&w=458 "(4S,8R)-1-[(2S)-6-methoxy-2,5,7,8-tetramethyl-chroman-2-yl]-4,8,12-trimethyl-tridecan-2-one")
