(Q105127041)

English

Lipiarmycin B3

group of stereoisomers with the chemical formula C₅₂H₇₄Cl₂O₁₈

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Statements

group of stereoisomers

0 references

1 reference

1,056.425220888 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₂H₇₄Cl₂O₁₈

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canonical SMILES

O=C(OC1C(O)C(OC)C(OCC2=CC=CCC(O)C(=CC(CC)C(OC3OC(C)(C)C(O)C(O)C3OC(=O)C(C)C)C(=CC(=CCC(OC2=O)C(O)C)C)C)C)OC1C)C=4C(O)=C(Cl)C(O)=C(Cl)C4CC

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isomeric SMILES

CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O[C@H]1[C@H](O)[C@H](OC)[C@H](OC/C2=C\C=C\CC(O)/C(C)=C/C(CC)[C@H](O[C@H]3OC(C)(C)[C@H](O)C(O)[C@H]3OC(=O)C(C)C)/C(C)=C/C(C)=C/CC(C(C)O)OC2=O)O[C@@H]1C

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Actinoplanes deccanensis

1 reference

Structure and biological activity of lipiarmycin B

Identifiers

InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-50-44(65-12)40(59)43(29(9)67-50)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)42(30)71-51-45(70-47(62)24(3)4)41(60)46(61)52(10,11)72-51/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28?,29-,30?,33?,34?,40+,41?,42-,43-,44+,45-,46-,50-,51+/m1/s1

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JFUVEKVTRJCUMZ-VKRWBSPHSA-N

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2 references

15 September 2022

matched by identifier from

JFUVEKVTRJCUMZ-VKRWBSPHSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-50-44(65-12)40(59)43(29(9)67-50)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)42(30)71-51-45(70-47(62)24(3)4)41(60)46(61)52(10,11)72-51/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28?,29-,30?,33?,34?,40+,41?,42-,43-,44+,45-,46-,50-,51+/m1/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

JFUVEKVTRJCUMZ-VKRWBSPHSA-N

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