(Q105312743)

English

[19,20,22,23-Tetraacetyloxy-21-(acetyloxymethyl)-15-benzoyloxy-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-25-yl] benzoate

group of stereoisomers with the chemical formula C₅₀H₅₃NO₂₀

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instance of

group of stereoisomers

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subclass of

eudesmane sesquiterpenoid

1 reference

inferred from

eudesmane sesquiterpenoid

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1 reference

987.3160930960006 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅₀H₅₃NO₂₀

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canonical SMILES

O=C1OCC2(OC34C(OC(=O)C=5C=CC=CC5)C2C(OC(=O)C)C(OC(=O)C)C4(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C(OC(=O)C=6C=CC=CC6)(C)CCC7=NC=CC=C17)C3(O)C)C

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Identifiers

InChI

InChI=1S/C50H53NO20/c1-26(52)62-25-49-40(66-29(4)55)36(64-27(2)53)35-38(68-42(57)31-16-11-9-12-17-31)50(49)48(8,61)39(37(65-28(3)54)41(49)67-30(5)56)69-45(60)46(6,70-43(58)32-18-13-10-14-19-32)22-21-34-33(20-15-23-51-34)44(59)63-24-47(35,7)71-50/h9-20,23,35-41,61H,21-22,24-25H2,1-8H3

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InChIKey

WTRGNKRBOZTZCU-UHFFFAOYSA-N

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PubChem CID

75052141

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WTRGNKRBOZTZCU-UHFFFAOYSA-N

(Q105312743)

[19,20,22,23-Tetraacetyloxy-21-(acetyloxymethyl)-15-benzoyloxy-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-25-yl] benzoate

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