For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6-methoxy-5,7,8-trimethyl-1'-[(2R,6R)-2,6,10-trimethylundecyl]spiro[chromane-2,3'-cyclobutane]-1'-ol
SpectraBase Compound ID 7qA74FFepUD
InChI InChI=1S/C30H50O3/c1-20(2)11-9-12-21(3)13-10-14-22(4)17-29(31)18-30(19-29)16-15-26-25(7)27(32-8)23(5)24(6)28(26)33-30/h20-22,31H,9-19H2,1-8H3/t21-,22-,29?,30?/m1/s1
InChIKey YDFDBYGDGWOZPL-WWJCJQDFSA-N
Mol Weight 458.7 g/mol
Molecular Formula C30H50O3
Exact Mass 458.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8fL3hUfoXuQ
Name 6-methoxy-5,7,8-trimethyl-1'-[(2R,6R)-2,6,10-trimethylundecyl]spiro[chromane-2,3'-cyclobutane]-1'-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O3
InChI InChI=1S/C30H50O3/c1-20(2)11-9-12-21(3)13-10-14-22(4)17-29(31)18-30(19-29)16-15-26-25(7)27(32-8)23(5)24(6)28(26)33-30/h20-22,31H,9-19H2,1-8H3/t21-,22-,29?,30?/m1/s1
InChIKey YDFDBYGDGWOZPL-WWJCJQDFSA-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 = -5.62 (589 nm)
SMILES OC1(CC2(Oc3c(c(c(OC)c(c3CC2)C)C)C)C1)C[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H]
SPLASH splash10-014i-0190100000-0b684358f3cc0b3e4493
Source of Spectrum QE-25-SM32-22
Thin-Layer Chromatography Rf = 0.23 (SiO2, cHex/EtOAc, 10:1)
Wiley ID 1848534