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Lancilactone C

View entire compound with spectra: 1 MS (GC)

Lancilactone C
SpectraBase Compound ID Gdfa6WKBaEp
InChI InChI=1S/C30H40O4/c1-18(2)23-9-10-25-22(17-21(23)8-12-27(31)32)13-15-29(5)24(14-16-30(25,29)6)20(4)26-11-7-19(3)28(33)34-26/h7,9-10,17,20,24,26H,8,11-16H2,1-6H3,(H,31,32)/t20-,24+,26-,29+,30-/m0/s1
InChIKey TYAJEEFQBLTASC-NNIFVFKYSA-N
Mol Weight 464.6 g/mol
Molecular Formula C30H40O4
Exact Mass 464.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EogNiaLLiFu
Name Lancilactone C
Alternate Name(s) 3-[(3R,3aR,10bR)-3a,10b-dimethyl-3-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8-propan-2-ylidene-2,3,4,5-tetrahydro-1H-cyclohepta[e]inden-7-yl]propanoic acid 3-[(3R,3aR,10bR)-8-isopropylidene-3a,10b-dimethyl-3-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,3,4,5-tetrahydro-1H-cyclohepta[e]inden-7-yl]propanoic acid 3-[(3R,3aR,10bR)-3a,10b-dimethyl-3-[(1S)-1-[(2S)-5-methyl-6-oxidanylidene-2,3-dihydropyran-2-yl]ethyl]-8-propan-2-ylidene-2,3,4,5-tetrahydro-1H-cyclohepta[e]inden-7-yl]propanoic acid
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Formula C30H40O4
InChI InChI=1S/C30H40O4/c1-18(2)23-9-10-25-22(17-21(23)8-12-27(31)32)13-15-29(5)24(14-16-30(25,29)6)20(4)26-11-7-19(3)28(33)34-26/h7,9-10,17,20,24,26H,8,11-16H2,1-6H3,(H,31,32)/t20-,24+,26-,29+,30-/m0/s1
InChIKey TYAJEEFQBLTASC-NNIFVFKYSA-N
Molecular Weight 464.646 g/mol
SMILES OC(CCC1=CC2=C([C@]3([C@@]([C@@]([C@@]([C@]4(OC(=O)C(=CC4)C)[H])(C)[H])(CC3)[H])(CC2)C)C)C=CC1=C(C)C)=O
SPLASH splash10-02vj-2940400000-05653b4b3f7b550b202e
Source of Spectrum G4-62-97-3
Wiley ID 1607695