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Rhizopogone diacetate
SpectraBase Compound ID 1UThBYe7jTC
InChI InChI=1S/C30H38O6/c1-18(2)16-24-17-21(5)13-9-11-19(3)10-8-12-20(4)14-15-25-27(33)30(36-23(7)32)26(24)28(34)29(25)35-22(6)31/h10,13-14,16,24H,8-9,11-12,15,17H2,1-7H3/b19-10+,20-14+,21-13+/t24-/m1/s1
InChIKey GIUXIIMRVVEULZ-JDIMLGGSSA-N
Mol Weight 494.6 g/mol
Molecular Formula C30H38O6
Exact Mass 494.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1e1Ch8d56zB
Name 2,5-[3',7',11-Trimethyl-1'-(isobut-1"'-enyl)trideca-3',7',11-triene-1',13-diyl]-3,6-diacetoxy-1,4-benzoquinone
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Formula C30H38O6
InChI InChI=1S/C30H38O6/c1-18(2)16-24-17-21(5)13-9-11-19(3)10-8-12-20(4)14-15-25-27(33)30(36-23(7)32)26(24)28(34)29(25)35-22(6)31/h10,13-14,16,24H,8-9,11-12,15,17H2,1-7H3/b19-10+,20-14+,21-13+/t24-/m1/s1
InChIKey GIUXIIMRVVEULZ-JDIMLGGSSA-N
Molecular Weight 494.628 g/mol
SMILES C12=C(C(=O)C(=C(C2=O)OC(=O)C)C\C=C\(CC\C=C\(CC\C=C\(C[C@]1(C=C(C)C)[H])C)C)C)OC(=O)C
SPLASH splash10-059f-5271900000-ddf2683b5500cc47b7ef
Source of Spectrum G4-72-217-2
Synonyms Rhizopogone-diacetate Acetic acid [(3E,7E,11E,14S)-16-acetyloxy-4,8,12-trimethyl-14-(2-methylprop-1-enyl)-17,19-dioxo-18-bicyclo[13.2.2]nonadeca-1(18),3,7,11,15-pentaenyl] ester [(3E,7E,11E,14S)-16-acetyloxy-4,8,12-trimethyl-14-(2-methylprop-1-enyl)-17,19-dioxo-18-bicyclo[13.2.2]nonadeca-1(18),3,7,11,15-pentaenyl] acetate [(3E,7E,11E,14S)-16-acetoxy-4,8,12-trimethyl-14-(2-methylprop-1-enyl)-17,19-dioxo-18-bicyclo[13.2.2]nonadeca-1(18),3,7,11,15-pentaenyl] acetate [(3E,7E,11E,14S)-16-acetyloxy-4,8,12-trimethyl-14-(2-methylprop-1-enyl)-17,19-bis(oxidanylidene)-18-bicyclo[13.2.2]nonadeca-1(18),3,7,11,15-pentaenyl] ethanoate
Wiley ID 1702084