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

*Links on SpectraBase are not permalinks.
SDPBMBYYMRFAKJ-DMKHAHDWSA-N
SpectraBase Compound ID Ag1EhfHQyKB
InChI InChI=1S/C26H46O3/c1-6-7-8-9-10-11-12-13-16-22(27)28-23(2,3)26-19-17-21-15-14-18-25(5,29-26)24(21,4)20-26/h21H,6-20H2,1-5H3/t21-,24+,25-,26+/m1/s1
InChIKey SDPBMBYYMRFAKJ-DMKHAHDWSA-N
Mol Weight 406.7 g/mol
Molecular Formula C26H46O3
Exact Mass 406.344695 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 CbbzIZ5LcRf
Name Undecanoyl - eremophilane derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H46O3
InChI InChI=1S/C26H46O3/c1-6-7-8-9-10-11-12-13-16-22(27)28-23(2,3)26-19-17-21-15-14-18-25(5,29-26)24(21,4)20-26/h21H,6-20H2,1-5H3/t21-,24+,25-,26+/m1/s1
InChIKey SDPBMBYYMRFAKJ-DMKHAHDWSA-N
Molecular Weight 406.651 g/mol
SMILES [C@]12(O[C@@]3(CCC[C@](CC2)([C@@]3(C1)C)[H])C)C(OC(=O)CCCCCCCCCC)(C)C
SPLASH splash10-0006-9032000000-608492e0c5231c9ea707
Source of Spectrum X2-56-498-3
Synonyms 1-[(1S,8R,9S)-8,9-dimethyl-11-oxatricyclo[6.2.1.0(4,9)]undec-1-yl]-1-methylethyl undecanoate
Wiley ID 1604832