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Talaroconvolutin A

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

Talaroconvolutin A
SpectraBase Compound ID 1FeCV0wCtrN
InChI InChI=1S/C32H41NO3/c1-7-19(2)14-21(4)28-22(5)18-32(6)17-20(3)8-13-27(32)29(28)30(35)26-16-24(33-31(26)36)15-23-9-11-25(34)12-10-23/h9-12,14-16,18-20,27-29,34H,7-8,13,17H2,1-6H3,(H,33,36)/b21-14+,24-15-/t19?,20-,27+,28-,29+,32+/m0/s1
InChIKey QCTUYJGFLVZOTL-NKPJVERHSA-N
Mol Weight 487.7 g/mol
Molecular Formula C32H41NO3
Exact Mass 487.308644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXyAEg77a5y
Name Talaroconvolutin A
Alternate Name(s) (5Z)-3-[(1R,2S,4aS,6S,8aR)-2-[(E)-1,3-dimethylpent-1-enyl]-3,4a,6-trimethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-5-(4-hydroxybenzylidene)-3-pyrrolin-2-one (5Z)-3-[(1R,2S,4aS,6S,8aR)-2-[(E)-1,3-dimethylpent-1-enyl]-3,4a,6-trimethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-5-[(4-hydroxyphenyl)methylene]pyrrol-2-one (5Z)-3-[(1R,2S,4aS,6S,8aR)-3,4a,6-trimethyl-2-[(E)-4-methylhex-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-5-[(4-hydroxyphenyl)methylidene]pyrrol-2-one (5Z)-3-[[(1R,2S,4aS,6S,8aR)-3,4a,6-trimethyl-2-[(E)-4-methylhex-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-oxomethyl]-5-[(4-hydroxyphenyl)methylidene]-2-pyrrolone (5Z)-3-[[(1R,2S,4aS,6S,8aR)-3,4a,6-trimethyl-2-[(E)-4-methylhex-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]carbonyl]-5-[(4-hydroxyphenyl)methylidene]pyrrol-2-one
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Formula C32H41NO3
InChI InChI=1S/C32H41NO3/c1-7-19(2)14-21(4)28-22(5)18-32(6)17-20(3)8-13-27(32)29(28)30(35)26-16-24(33-31(26)36)15-23-9-11-25(34)12-10-23/h9-12,14-16,18-20,27-29,34H,7-8,13,17H2,1-6H3,(H,33,36)/b21-14+,24-15-/t19?,20-,27+,28-,29+,32+/m0/s1
InChIKey QCTUYJGFLVZOTL-NKPJVERHSA-N
Molecular Weight 487.684 g/mol
SMILES N1\C(=C/c2ccc(cc2)O)C=C(C([C@]2([C@](C(C)=C[C@@]3([C@@]2(CC[C@](C)(C3)[H])[H])C)(\C(=C\C(CC)C)C)[H])[H])=O)C1=O
SPLASH splash10-03di-0043900000-ff2db4c08761abe48896
Source of Spectrum G4-63-771-1
Wiley ID 1608466