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Pallinin
SpectraBase Compound ID aQGbIsZ9eH
InChI InChI=1S/C25H38O5/c1-9-17(6)22(26)29-19-13-16(5)14-20(30-23(27)18(7)10-2)24(8)11-12-25(28,15(3)4)21(19)24/h9-10,14-15,19-21,28H,11-13H2,1-8H3/b17-9+,18-10+
InChIKey FVVSHRMUDMBKFA-BEQMOXJMSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O5
Exact Mass 418.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ig7anEKEuPb
Name Pallinin
Alternate Name(s) 1,5-bis[(2'-Methyl-2'-buten-1'-oyl)oxy]-7-hydroxy-7-isopropyl-3,10-dimethylbicyclo[5.3.0]dec-2-ene 1-Hydroxy-1-isopropyl-3a,6-dimethyl-8-{[(2E)-2-methyl-2-butenoyl]oxy}-1,2,3,3a,4,7,8,8a-octahydro-4-azulenyl (2E)-2-methyl-2-butenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O5
InChI InChI=1S/C25H38O5/c1-9-17(6)22(26)29-19-13-16(5)14-20(30-23(27)18(7)10-2)24(8)11-12-25(28,15(3)4)21(19)24/h9-10,14-15,19-21,28H,11-13H2,1-8H3/b17-9+,18-10+
InChIKey FVVSHRMUDMBKFA-BEQMOXJMSA-N
Molecular Weight 418.574 g/mol
SMILES OC1(C2C(C(OC(\C(=C\C)C)=O)C=C(CC2OC(\C(=C\C)C)=O)C)(CC1)C)C(C)C
SPLASH splash10-00or-0931600000-bffaf779c8d88880da57
Source of Spectrum X4-22-49-0
Wiley ID 1585959