(Q105216136)

English

[(2R,3S,8S,13R,14S,19S)-13-carbamoyloxy-8-(4-chlorobutyl)-19-(4,4-dichlorobutyl)-10,21,24,26-tetrahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] carbamate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Carbamidocyclophane B

1 reference

based on heuristic

inferred from SMILES

[13-Carbamoyloxy-8-(4-chlorobutyl)-19-(4,4-dichlorobutyl)-10,21,24,26-tetrahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] carbamate

1 reference

based on heuristic

inferred from SMILES

mass

772.30239976 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₅₅Cl₃N₂O₈

0 references

canonical SMILES

CC1CCCCC(CCCCCl)c2c(O)cc(cc2O)C(OC(N)=O)C(C)CCCCC(CCCC(Cl)Cl)c2c(O)cc(cc2O)C1OC(N)=O

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isomeric SMILES

C[C@H]1CCCC[C@@H](CCCCCl)c2c(O)cc(cc2O)[C@H](OC(N)=O)[C@@H](C)CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1OC(N)=O

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found in taxon

Nostoc

2 references

stated in

Carbamidocyclophanes A-E, chlorinated paracyclophanes with cytotoxic and antibiotic activity from the Vietnamese cyanobacterium Nostoc sp.

stated in

Carbamidocyclophanes A-E, chlorinated paracyclophanes with cytotoxic and antibiotic activity from the Vietnamese cyanobacterium Nostoc sp.

Identifiers

InChI

InChI=1S/C38H55Cl3N2O8/c1-22-10-3-5-12-24(14-7-8-17-39)33-28(44)18-26(19-29(33)45)35(50-37(42)48)23(2)11-4-6-13-25(15-9-16-32(40)41)34-30(46)20-27(21-31(34)47)36(22)51-38(43)49/h18-25,32,35-36,44-47H,3-17H2,1-2H3,(H2,42,48)(H2,43,49)/t22-,23-,24-,25-,35+,36+/m0/s1

0 references

InChIKey

PXEFELGJKKNAPC-ZFMUTVERSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PXEFELGJKKNAPC-ZFMUTVERSA-N

(Q105216136)

[(2R,3S,8S,13R,14S,19S)-13-carbamoyloxy-8-(4-chlorobutyl)-19-(4,4-dichlorobutyl)-10,21,24,26-tetrahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] carbamate

Statements

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