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

*Links on SpectraBase are not permalinks.
MANOALIDE-25-MONOACETATE
SpectraBase Compound ID 3jFLFc7sozU
InChI InChI=1S/C27H38O6/c1-17(11-13-22-18(2)9-7-15-27(22,4)5)8-6-10-20-12-14-23(32-25(20)30)21-16-24(29)33-26(21)31-19(3)28/h8,12,16,23,25-26,30H,6-7,9-11,13-15H2,1-5H3/b17-8+
InChIKey IBDCHSSSHBQBDQ-CAOOACKPSA-N
Mol Weight 458.6 g/mol
Molecular Formula C27H38O6
Exact Mass 458.266839 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 3vFAxmxq0QJ
Name Manoalide - 24-monoacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O6
InChI InChI=1S/C27H38O6/c1-17(11-13-22-18(2)9-7-15-27(22,4)5)8-6-10-20-12-14-23(32-25(20)30)21-16-24(29)33-26(21)31-19(3)28/h8,12,16,23,25-26,30H,6-7,9-11,13-15H2,1-5H3/b17-8+
InChIKey IBDCHSSSHBQBDQ-CAOOACKPSA-N
Molecular Weight 458.595 g/mol
SMILES OC1OC(C=2C(OC(C2)=O)OC(=O)C)CC=C1CC\C=C\(CCC1=C(CCCC1(C)C)C)C
SPLASH splash10-001d-9600000000-9bb2ef7f0c48ac8b3434
Source of Spectrum X2-51-334-1
Synonyms Acetic acid [3-[6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexenyl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]-5-oxo-2H-furan-2-yl] ester [3-[6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]-5-oxo-2H-furan-2-yl] acetate [3-[5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-6-oxidanyl-3,6-dihydro-2H-pyran-2-yl]-5-oxidanylidene-2H-furan-2-yl] ethanoate
Wiley ID 1602584