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

*Links on SpectraBase are not permalinks.

Dimethyl {[(3aRS,4SR,5RS,8SR,9SR,9aSR)-9-acetyl-3a,4,5,8,9,9a-hexahydro-3H-5,8-methanocyclopenta[a]azulen-4-yl]methyl}malonate

View entire compound with spectra: 1 MS (GC)

Dimethyl {[(3aRS,4SR,5RS,8SR,9SR,9aSR)-9-acetyl-3a,4,5,8,9,9a-hexahydro-3H-5,8-methanocyclopenta[a]azulen-4-yl]methyl}malonate
SpectraBase Compound ID 81ubA0FPclb
InChI InChI=1S/C22H26O5/c1-11(23)18-14-5-4-6-15(14)20-16(12-7-8-13(9-12)19(18)20)10-17(21(24)26-2)22(25)27-3/h4-5,7-8,12-18H,6,9-10H2,1-3H3/t12-,13-,14-,15+,16-,18-/m0/s1
InChIKey KWRNUPCKBLBXDB-PURPPNFBSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 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 1q3S1NmwiWT
Name Dimethyl {[(3aRS,4SR,5RS,8SR,9SR,9aSR)-9-acetyl-3a,4,5,8,9,9a-hexahydro-3H-5,8-methanocyclopenta[a]azulen-4-yl]methyl}malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-11(23)18-14-5-4-6-15(14)20-16(12-7-8-13(9-12)19(18)20)10-17(21(24)26-2)22(25)27-3/h4-5,7-8,12-18H,6,9-10H2,1-3H3/t12-,13-,14-,15+,16-,18-/m0/s1
InChIKey KWRNUPCKBLBXDB-PURPPNFBSA-N
Literature Reference DOI 10.1002/adsc.201000783
Molecular Weight 370.445 g/mol
SMILES C1=C[C@]2(C[C@]1(C1=C([C@@]3(CC=C[C@@]3([C@@]1(C(C)=O)[H])[H])[H])[C@]2(CC(C(OC)=O)C(OC)=O)[H])[H])[H]
SPLASH splash10-0002-1901000000-a31687d40bf160674dc8
Source of Spectrum ASC-353-1125/SM19-4
Synonyms Dimethyl 2-(((3aR,4R,5R,9S,9aS)-9-acetyl-3a,4,5,8,9,9a-hexahydro-3H-5,8-methanocyclopenta[a]azulen-4-yl)methyl)malonate
Wiley ID 1764841