(Q105027974)

English

methyl (1S,7S,8S,17S,28R,30R)-4-chloro-8,11,15,18,22,25-hexahydroxy-30-(hydroxymethyl)-13,20,27-trioxo-6,29-dioxaoctacyclo[15.10.3.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶.0²⁸,³⁰]triaconta-3(16),4,11,14,18,21,23,25-octaene-7-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 4-chloro-8,11,15,18,22,25-hexahydroxy-30-(hydroxymethyl)-13,20,27-trioxo-6,29-dioxaoctacyclo[15.10.3.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶.0²⁸,³⁰]triaconta-3(16),4,11,14,18,21,23,25-octaene-7-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

654.077633096 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1S,7S,8R,17S,28R,30R)-4-chloro-8,11,15,18,22,25-hexahydroxy-30-(hydroxymethyl)-13,20,27-trioxo-6,29-dioxaoctacyclo[15.10.3.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶.0²⁸,³⁰]triaconta-3(16),4,11,14,18,21,23,25-octaene-7-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₂₃ClO₁₄

0 references

canonical SMILES

O=C1C=2C(O)=CC=C(O)C2C(=O)C34C1=C(O)C(C5=C(O)C=6C(=O)C7=C(O)CCC(O)C7(OC6C(Cl)=C5C3)C(=O)OC)C8(OC48)CO

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isomeric SMILES

COC(=O)[C@]12Oc3c(Cl)c4c(c(O)c3C(=O)C1=C(O)CC[C@@H]2O)[C@H]1C(O)=C2C(=O)c3c(O)ccc(O)c3C(=O)[C@]2(C4)[C@H]2O[C@@]12CO

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found in taxon

Cercospora beticola

1 reference

stated in

The yellow toxins produced by Cercospora beticola. Part II: Isolation and structure of beticolins 3 and 4

Identifiers

InChI

InChI=1S/C31H23ClO14/c1-44-28(43)31-12(37)5-4-11(36)17(31)23(40)16-21(38)13-8(20(32)25(16)45-31)6-29-19(24(41)18(13)30(7-33)27(29)46-30)22(39)14-9(34)2-3-10(35)15(14)26(29)42/h2-3,12,18,27,33-38,41H,4-7H2,1H3/t12-,18-,27+,29+,30-,31+/m0/s1

(Q105027974)

methyl (1S,7S,8S,17S,28R,30R)-4-chloro-8,11,15,18,22,25-hexahydroxy-30-(hydroxymethyl)-13,20,27-trioxo-6,29-dioxaoctacyclo[15.10.3.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶.0²⁸,³⁰]triaconta-3(16),4,11,14,18,21,23,25-octaene-7-carboxylate

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