(Q105002169)

English

[(1S,3S,18R,19S,20R,21S,22R,24S,25R,26R)-19,20,22,25-tetraacetyloxy-15,26-dihydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate

group of stereoisomers with the chemical formula C₃₆H₄₃NO₁₈

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Statements

instance of

group of stereoisomers

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subclass of

eudesmane sesquiterpenoid

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inferred from

eudesmane sesquiterpenoid

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777.2480135360001 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₆H₄₃NO₁₈

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canonical SMILES

O=C1OCC2(OC34C(OC(=O)C)C2C(=O)C(OC(=O)C)C4(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C(O)(C)CCC5=NC=CC=C15)C3(O)C)C

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isomeric SMILES

CC(=O)OC[C@]12[C@@H](OC(C)=O)C(=O)[C@H]3[C@@H](OC(C)=O)[C@@]14O[C@]3(C)COC(=O)c1cccnc1CCC(C)(O)C(=O)O[C@H]([C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@]4(C)O

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Identifiers

InChI

InChI=1S/C36H43NO18/c1-16(38)48-15-35-27(52-19(4)41)24(43)23-26(51-18(3)40)36(35)34(8,47)28(25(50-17(2)39)29(35)53-20(5)42)54-31(45)32(6,46)12-11-22-21(10-9-13-37-22)30(44)49-14-33(23,7)55-36/h9-10,13,23,25-29,46-47H,11-12,14-15H2,1-8H3/t23-,25+,26+,27-,28+,29-,32?,33+,34+,35+,36-/m0/s1

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InChIKey

FUYMUDYPTJUYIB-PAFGAYFLSA-N

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PubChem CID

101109640

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

FUYMUDYPTJUYIB-PAFGAYFLSA-N

1 reference

(Q105002169)

[(1S,3S,18R,19S,20R,21S,22R,24S,25R,26R)-19,20,22,25-tetraacetyloxy-15,26-dihydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate

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