(Q105208471)

English

(7Z,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-31-chloro-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

705.270459668 dalton

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based on heuristic

inferred from SMILES

stereoisomer of

(7E,9S,10S,11S,12E,14S,16E,20S,21S,22Z,24E,26Z)-31-chloro-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone

1 reference

based on heuristic

inferred from InChIKey

(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z)-31-chloro-4,10,14,20,28-pentahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.0⁵,³³]tetratriaconta-1(33),2,4,7,12,16,22,24,26,28,30-undecaene-6,18,32,34-tetrone

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1 reference

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C₃₉H₄₄ClNO₉

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canonical SMILES

CC1=CCC(O)C=CC(C)C(O)C(C)C=C(C)C(=O)c2c(O)c(C)cc3c2C(=O)C(Cl)=C(NC(=O)C=CC=CC=CC(C)C(O)CC1=O)C3=O

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isomeric SMILES

C/C1=C/[C@H](C)[C@@H](O)[C@@H](C)/C=C/[C@@H](O)C/C=C(\C)C(=O)C[C@H](O)[C@@H](C)/C=C/C=C\C=C/C(=O)NC2=C(Cl)C(=O)c3c(cc(C)c(O)c3C1=O)C2=O

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found in taxon

Streptomyces

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stated in

A new ansamycin antibiotic, naphthomycin H from a Streptomyces species Y-83,40369.

Identifiers

InChI

InChI=1S/C39H44ClNO9/c1-20-11-9-7-8-10-12-30(45)41-34-33(40)39(50)31-27(38(34)49)18-25(6)37(48)32(31)36(47)24(5)17-23(4)35(46)22(3)14-16-26(42)15-13-21(2)29(44)19-28(20)43/h7-14,16-18,20,22-23,26,28,35,42-43,46,48H,15,19H2,1-6H3,(H,41,45)/b8-7-,11-9+,12-10-,16-14+,21-13+,24-17-/t20-,22-,23-,26-,28-,35-/m0/s1

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InChIKey

PGLCKEFYXCGUGA-SYILGEKDSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105208471)

(7Z,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-31-chloro-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone

Statements

Identifiers

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