Phenylpyropene a

Formula: C32H38O10
Molecular weight: 582.60
Smiles: CC(=O)OCC1(C(CCC2(C1CC(C3(C2C(C4=C(O3)C=C(OC4=O)C5=CC=CC=C5)O)C)OC(=O)C)C)OC(=O)C)C

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Phenylpyropene a

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Phenylpyropene a
First synonym: 189564-20-3
Synonyms: 189564-20-3,Phenylpyropene A,(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-3,6-bis(acetyloxy)-4-[(acetyloxy)methyl]-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-12-hydroxy-4,6a,12b-trimethyl-9-phenyl-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one,[(1S,2S,5S,6R,7R,9S,10S,18R)-5,9-Diacetyloxy-18-hydroxy-2,6,10-trimethyl-16-oxo-14-phenyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-6-yl]methyl acetate,(3S)-3alpha,6alpha-Diacetoxy-4beta-(acetoxymethyl)-4,6aalpha,12balpha-trimethyl-9-phenyl-12alpha-hydroxy-1,3,4,4abeta,5,6,6a,12,12abeta,12b-decahydro-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one

Smiles: CC(=O)OCC1(C(CCC2(C1CC(C3(C2C(C4=C(O3)C=C(OC4=O)C5=CC=CC=C5)O)C)OC(=O)C)C)OC(=O)C)C
Isomeric smiles: CC(=O)OC[C@@]1([C@H](CC[C@]2([C@H]1C[C@@H]([C@@]3([C@@H]2[C@H](C4=C(O3)C=C(OC4=O)C5=CC=CC=C5)O)C)OC(=O)C)C)OC(=O)C)C
Inchi: InChI=1S/C32H38O10/c1-17(33)38-16-31(5)23-15-25(40-19(3)35)32(6)28(30(23,4)13-12-24(31)39-18(2)34)27(36)26-22(42-32)14-21(41-29(26)37)20-10-8-7-9-11-20/h7-11,14,23-25,27-28,36H,12-13,15-16H2,1-6H3/t23-,24+,25+,27+,28-,30+,31+,32-/m1/s1
Inchikey: QHPKCPGUVVWHPW-QQJWEHFTSA-N

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Fungi id	Species
822	Penicillium griseofulvum F1959