(Q105025400)

English

(3E,5E,7E,9E,11E)-19,21,23,25,27,29,31,33,35-nonahydroxy-12,16-dimethyl-15-propan-2-yl-14,37-dioxabicyclo[31.3.1]heptatriaconta-3,5,7,9,11-pentaen-13-one

group of stereoisomers with the chemical formula C₄₀H₆₆O₁₂

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Statements

instance of

group of stereoisomers

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1 reference

738.455427552 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₀H₆₆O₁₂

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canonical SMILES

O=C1OC(C(C)C)C(C)CCC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC2(O)OC(CC=CC=CC=CC=CC=C1C)CC(O)C2

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isomeric SMILES

C/C1=C\C=C\C=C\C=C\C=C\CC2CC(O)CC(O)(CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CCC(C)C(C(C)C)OC1=O)O2

1 reference

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A new polyene antibiotic, flavomycoin. Structural investigations. I

Identifiers

InChI

InChI=1S/C40H66O12/c1-26(2)38-27(3)15-16-29(41)17-30(42)18-31(43)19-32(44)20-33(45)21-34(46)22-35(47)24-40(50)25-36(48)23-37(52-40)14-12-10-8-6-5-7-9-11-13-28(4)39(49)51-38/h5-13,26-27,29-38,41-48,50H,14-25H2,1-4H3/b7-5+,8-6+,11-9+,12-10+,28-13+

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InChIKey

HBOLDVSXCKYZJZ-BDWLDPCKSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

HBOLDVSXCKYZJZ-BDWLDPCKSA-N

1 reference

Natural Product Atlas ID

NPA021201

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HBOLDVSXCKYZJZ-BDWLDPCKSA-N

(Q105025400)

(3E,5E,7E,9E,11E)-19,21,23,25,27,29,31,33,35-nonahydroxy-12,16-dimethyl-15-propan-2-yl-14,37-dioxabicyclo[31.3.1]heptatriaconta-3,5,7,9,11-pentaen-13-one

Statements

Identifiers

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