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

*Links on SpectraBase are not permalinks.

Aculeatin C

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Aculeatin C
SpectraBase Compound ID IrA3arRiLse
InChI InChI=1S/C42H64O7/c1-3-5-7-9-10-11-12-13-15-17-24-41(47)27-23-39(46)37(38(41)18-16-14-8-6-4-2)20-19-34(44)30-36-31-35(45)32-42(48-36)29-28-40(49-42)25-21-33(43)22-26-40/h21-23,25-27,35-36,45,47H,3-20,24,28-32H2,1-2H3
InChIKey KGJWSAOIRFQBCA-UHFFFAOYSA-N
Mol Weight 681.0 g/mol
Molecular Formula C42H64O7
Exact Mass 680.465204 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 5e3d7ISDh3L
Name Aculeatin C
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H64O7
InChI InChI=1S/C42H64O7/c1-3-5-7-9-10-11-12-13-15-17-24-41(47)27-23-39(46)37(38(41)18-16-14-8-6-4-2)20-19-34(44)30-36-31-35(45)32-42(48-36)29-28-40(49-42)25-21-33(43)22-26-40/h21-23,25-27,35-36,45,47H,3-20,24,28-32H2,1-2H3
InChIKey KGJWSAOIRFQBCA-UHFFFAOYSA-N
Molecular Weight 680.967 g/mol
SMILES OC1(C(=C(CCC(CC2CC(CC3(O2)OC2(C=CC(C=C2)=O)CC3)O)=O)C(C=C1)=O)CCCCCCC)CCCCCCCCCCCC
SPLASH splash10-01q9-9710000000-77080b3cc888297db6c2
Source of Spectrum H-83-2944-3
Synonyms 2-[4'-(3''-deodecyl-2''-heptyl-3''-hydroxy-6''-oxocyclohexa-1'',4''-dienyl)-2'-oxobutyl]-4-hydroxy-1,7-dioxa-dispiro[5.1.5.2]pentadeca-9,12-11-one 2-[4'-(3''-deodecyl-2''-heptyl-3''-hydroxy-6''-oxocyclohexa-1'',4''-dienyl)-2'-oxobutyl]-4-hydroxy-1,7-dioxa-dispiro[5.1.5.2]pentadeca-9,12-11-one
Wiley ID 847311