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

*Links on SpectraBase are not permalinks.
(-)-ent-Isocopalic acid 2,3-diacetoxypropyl ester
SpectraBase Compound ID 4fCvKnjBvGk
InChI InChI=1S/C27H42O6/c1-17-9-10-22-26(6)13-8-12-25(4,5)21(26)11-14-27(22,7)23(17)24(30)32-16-20(33-19(3)29)15-31-18(2)28/h9,20-23H,8,10-16H2,1-7H3/t20-,21?,22+,23-,26-,27+/m0/s1
InChIKey GSRDGCVEZIQWLC-NXWOKTSESA-N
Mol Weight 462.6 g/mol
Molecular Formula C27H42O6
Exact Mass 462.298139 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 9AtS0NApp8u
Name (-)-ent-Isocopalic acid 2,3-diacetoxypropyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O6
InChI InChI=1S/C27H42O6/c1-17-9-10-22-26(6)13-8-12-25(4,5)21(26)11-14-27(22,7)23(17)24(30)32-16-20(33-19(3)29)15-31-18(2)28/h9,20-23H,8,10-16H2,1-7H3/t20-,21?,22+,23-,26-,27+/m0/s1
InChIKey GSRDGCVEZIQWLC-NXWOKTSESA-N
Molecular Weight 462.627 g/mol
SMILES [C@]12([C@@]([C@]3(CCCC(C3CC2)(C)C)C)(CC=C([C@]1(C(OC[C@@](OC(=O)C)(COC(=O)C)[H])=O)[H])C)[H])C
SPLASH splash10-0adu-0930000000-a68127103693ff1dc53e
Source of Spectrum F-56-2510-3f
Wiley ID 856614