(Q104972520)

English

[(1R,2S,10R,12R,13R,14S)-12-cyano-14,16,19-trihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methyl (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(12-Cyano-14,16,19-trihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl)methyl 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

593.2373297 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,10R,12R,13R,14S)-12-cyano-14,16,19-trihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methyl 2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₃₅N₃O₉

0 references

canonical SMILES

N#CC1N2C(C=3C(=O)C(OC)=C(C(=O)C3CC2C4C5=C(O)C(OC)=C(C(O)=C5C(O)C1N4C)C)C)COC(=O)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)OC[C@H]1C2=C(C[C@H]3[C@H]4c5c(O)c(OC)c(C)c(O)c5[C@H](O)[C@@H]([C@H](C#N)N31)N4C)C(=O)C(C)=C(OC)C2=O

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found in taxon

Xestospongia

1 reference

stated in

Chemistry of renieramycins. Part 3.(1) isolation and structure of stabilized renieramycin type derivatives possessing antitumor activity from Thai sponge Xestospongia species, pretreated with potassium cyanide

Jorunna funebris

1 reference

stated in

Jorunnamycins A-C, new stabilized renieramycin-type bistetrahydroisoquinolines isolated from the Thai nudibranch Jorunna funebris

Identifiers

InChI

InChI=1S/C31H35N3O9/c1-8-12(2)31(40)43-11-18-19-15(24(35)13(3)29(41-6)27(19)38)9-16-22-20-21(25(36)14(4)30(42-7)28(20)39)26(37)23(33(22)5)17(10-32)34(16)18/h8,16-18,22-23,26,36-37,39H,9,11H2,1-7H3/b12-8-/t16-,17-,18-,22-,23+,26-/m0/s1

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InChIKey

CYRXLYVOHCLIMN-TVNZNNQYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CYRXLYVOHCLIMN-TVNZNNQYSA-N

1 reference

(Q104972520)

[(1R,2S,10R,12R,13R,14S)-12-cyano-14,16,19-trihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methyl (Z)-2-methylbut-2-enoate

Statements

Identifiers

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