(Q105289987)

English

[(6-{[(9E,15E)-5-(6-ethyl-5-hydroxy-4-methyl-7-oxononan-2-yl)-1,7-dihydroxy-6,8,16,18-tetramethyl-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl]oxy}-3-hydroxy-2-methyloxan-4-yl)oxy]methanimidic acid

group of stereoisomers with the chemical formula C₄₂H₆₉NO₁₂

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instance of

group of stereoisomers

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1 reference

779.4819766479999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₆₉NO₁₂

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canonical SMILES

CCC(=O)C(CC)C(O)C(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)C(C)=CCCCC(OC2CC(OC(N)=O)C(O)C(C)O2)C=CC(C)C(O)C1C

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isomeric SMILES

CCC(=O)C(CC)C(O)C(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)/C(C)=C/CCCC(OC2CC(OC(N)=O)C(O)C(C)O2)/C=C/C(C)C(O)C1C

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C42H69NO12/c1-10-31(32(44)11-2)37(47)26(6)20-27(7)40-28(8)36(46)23(3)16-17-30(52-35-21-33(53-41(43)49)38(48)29(9)51-35)15-13-12-14-24(4)39-25(5)18-19-42(50,55-39)22-34(45)54-40/h14,16-18,23,26-31,33,35-40,46-48,50H,10-13,15,19-22H2,1-9H3,(H2,43,49)/b17-16+,24-14+

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InChIKey

VNWFMKPKQQJGNF-QDWALMSXSA-N

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PubChem CID

23305201

1 reference

matched by identifier from

InChIKey

VNWFMKPKQQJGNF-QDWALMSXSA-N

(Q105289987)

[(6-{[(9E,15E)-5-(6-ethyl-5-hydroxy-4-methyl-7-oxononan-2-yl)-1,7-dihydroxy-6,8,16,18-tetramethyl-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl]oxy}-3-hydroxy-2-methyloxan-4-yl)oxy]methanimidic acid

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