(Q105186461)

English

(13R,21R,22S,24R)-8-chloro-3,22,28-trihydroxy-21,24-dimethoxy-7-methyl-6-[(Z)-3-oxobutan-2-ylideneamino]-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),7,10,17,20(25),27-octaene-5,26-dione

chemical compound

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instance of

type of chemical entity

0 references

subclass of

8-Chloro-3,22,28-trihydroxy-21,24-dimethoxy-7-methyl-6-(3-oxobutan-2-ylideneamino)-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),7,10,17,20(25),27-octaene-5,26-dione

1 reference

based on heuristic

inferred from SMILES

mass

652.145987428 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(13R,21R,22S,24R)-8-chloro-3,22,28-trihydroxy-21,24-dimethoxy-7-methyl-6-[(E)-3-oxobutan-2-ylideneamino]-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),7,10,17,20(25),27-octaene-5,26-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₂₉ClN₂O₁₁

0 references

canonical SMILES

O=C1C2=C(O)C=3C4=C(O)C=5C(=O)N(N=C(C(=O)C)C)C(=C(Cl)C5C=C4CC6OCOC(=C2OC7=C1C(OC)CC(O)C7OC)C36)C

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isomeric SMILES

CO[C@@H]1C[C@H](O)[C@@H](OC)c2oc3c4c5c(c(O)c3c(=O)c21)-c1c(cc2c(Cl)c(C)n(/N=C(/C)C(C)=O)c(=O)c2c1O)C[C@H]5OCO4

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found in taxon

Actinoplanes

1 reference

stated in

Actinoplanones C, D, E, F and G, new cytotoxic polycyclic xanthones from Actinoplanes sp

Identifiers

InChI

InChI=1S/C32H29ClN2O11/c1-10(12(3)36)34-35-11(2)24(33)14-6-13-7-17-20-22(18(13)25(38)19(14)32(35)41)27(40)23-26(39)21-16(42-4)8-15(37)28(43-5)30(21)46-31(23)29(20)45-9-44-17/h6,15-17,28,37-38,40H,7-9H2,1-5H3/b34-10-/t15-,16+,17+,28+/m0/s1

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InChIKey

NVXGLELRUORICC-ZUFXDUEYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

NVXGLELRUORICC-ZUFXDUEYSA-N

1 reference

(Q105186461)

(13R,21R,22S,24R)-8-chloro-3,22,28-trihydroxy-21,24-dimethoxy-7-methyl-6-[(Z)-3-oxobutan-2-ylideneamino]-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),7,10,17,20(25),27-octaene-5,26-dione

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