(Q105210404)

English

(1S,4R,15S,26S,27S)-8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone

chemical compound

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instance of

type of chemical entity

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subclass of

8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone

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based on heuristic

inferred from SMILES

mass

544.10056146 dalton

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based on heuristic

inferred from SMILES

stereoisomer of

(1S,4R,15R,26S,27R)-8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₂₀O₁₁

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canonical SMILES

O=C1C2=C(O)C=C(C(O)=C2C(=O)C3=C1C4C(O)=C5C(=O)C6=C(O)C=C(C=C6C(=O)C57CC(=O)C3C7(O)C4O)C)C

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isomeric SMILES

Cc1cc(O)c2c(c1)C(=O)[C@@]13CC(=O)[C@@H]4C5=C(C(=O)c6c(O)cc(C)c(O)c6C5=O)[C@H](C(O)=C1C2=O)[C@H](O)[C@]43O

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found in taxon

Penicillium purpurogenum

1 reference

stated in

Studies in mycological chemistry. Part IV. Purpurogenone, a metabolic product of penicillium purpurogenum stoll

Talaromyces purpureogenus

1 reference

stated in

Studies in mycological chemistry. Part IV. Purpurogenone, a metabolic product of penicillium purpurogenum stoll

Identifiers

InChI

InChI=1S/C29H20O11/c1-7-3-9-13(10(30)4-7)24(36)20-25(37)18-15-16(19-12(32)6-28(20,26(9)38)29(19,40)27(18)39)23(35)17-14(22(15)34)11(31)5-8(2)21(17)33/h3-5,18-19,27,30-31,33,37,39-40H,6H2,1-2H3/t18-,19-,27+,28-,29-/m1/s1

(Q105210404)

(1S,4R,15S,26S,27S)-8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone

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