(Q105192042)

English

[(1S,14R,24S)-3,9,19-trihydroxy-11,17-dimethyl-7,15,21-trioxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2,4(26),8,10,12,16(25),17,19-octaen-24-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(3,9,19-Trihydroxy-11,17-dimethyl-7,15,21-trioxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2,4(26),8,10,12,16(25),17,19-octaen-24-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

516.10564684 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,14R,24R)-3,9,19-trihydroxy-11,17-dimethyl-7,15,21-trioxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2,4(26),8,10,12,16(25),17,19-octaen-24-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₂₀O₁₀

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canonical SMILES

O=C1OCC=2C(O)=C3C(=C4C2C1=C(O)C=C4C)C5C(=O)C=6C(=CC(O)=C7C(=O)OCC3(C76)C5OC(=O)C)C

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isomeric SMILES

CC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)c1c(O)c3c4c(c(O)cc(C)c4c12)C(=O)OC3

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found in taxon

Penicillium

1 reference

stated in

Polyketides from Penicillium sp. JP-1, an endophytic fungus associated with the mangrove plant Aegiceras corniculatum

Talaromyces bacillisporus

2 references

stated in

Merodrimanes and Other Constituents fromTalaromyces thailandiasis

stated in

Bacillisporins D and E, new oxyphenalenone dimers from Talaromyces bacillisporus.

Identifiers

InChI

InChI=1S/C28H20O10/c1-8-4-12(30)17-16-11(6-36-26(17)34)23(32)22-19(14(8)16)20-24(33)15-9(2)5-13(31)18-21(15)28(22,7-37-27(18)35)25(20)38-10(3)29/h4-5,20,25,30-32H,6-7H2,1-3H3/t20-,25-,28-/m0/s1

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InChIKey

OHEUOVAGVOGHJZ-ATZAZFCXSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

OHEUOVAGVOGHJZ-ATZAZFCXSA-N

1 reference

(Q105192042)

[(1S,14R,24S)-3,9,19-trihydroxy-11,17-dimethyl-7,15,21-trioxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2,4(26),8,10,12,16(25),17,19-octaen-24-yl] acetate

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