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Neogrifoline diacetate

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

Neogrifoline diacetate
SpectraBase Compound ID KPouSVsVnBD
InChI InChI=1S/C26H36O4/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-15-25-21(5)16-24(29-22(6)27)17-26(25)30-23(7)28/h10,12,14,16-17H,8-9,11,13,15H2,1-7H3/b19-12+,20-14+
InChIKey SIEURMJKKBAYAM-LCAIAVFMSA-N
Mol Weight 412.6 g/mol
Molecular Formula C26H36O4
Exact Mass 412.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tSnn2ANDZG
Name 1,3-Benzenediol, 5-methyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, diacetate, (E,E)-
CAS Registry Number 65195-48-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O4
InChI InChI=1S/C26H36O4/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-15-25-21(5)16-24(29-22(6)27)17-26(25)30-23(7)28/h10,12,14,16-17H,8-9,11,13,15H2,1-7H3/b19-12+,20-14+
InChIKey SIEURMJKKBAYAM-LCAIAVFMSA-N
Molecular Weight 412.570 g/mol
SMILES c1(c(c(C)cc(c1)OC(=O)C)C\C=C\(CC\C=C\(CCC=C(C)C)C)C)OC(=O)C
SPLASH splash10-03k9-0007900000-fbae21d6a8681ac2e9ec
Source of Spectrum K-110-3775-0
Synonyms 3-(acetyloxy)-5-methyl-4-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]phenyl acetate Acetic acid[3-acetoxy-5-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl]ester Acetic acid[3-acetyloxy-5-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl]ester Neogrifolin diacetate [3-acetoxy-5-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl]acetate [3-acetyloxy-5-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl]acetate [3-acetyloxy-5-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl]ethanoate Acetic acid [3-acetyloxy-5-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] ester [3-acetyloxy-5-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate [3-acetoxy-5-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] acetate [3-acetyloxy-5-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phenyl] ethanoate
Wiley ID 1374596