(Q105200856)

English

(18E,28E)-13-(3,5-dihydroxyhexan-2-yl)-5-hydroxy-25-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-3-methoxy-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one

group of stereoisomers with the chemical formula C₄₉H₇₁NO₁₂

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Statements

instance of

group of stereoisomers

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1 reference

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865.497626712 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₉H₇₁NO₁₂

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canonical SMILES

O=C1OC(C(C=CC=CC=CC(O)CC(OC)C(C2=NC(=CO2)C=CC=CC(OC3OC(C)C(O)C(OC)C3OC)C(C=C(C=CC=CC=C1)C)C)C)C)C(C)C(O)CC(O)C

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isomeric SMILES

COC1CC(O)C=CC=CC=CC(C)C(C(C)C(O)CC(C)O)OC(=O)C=C/C=C/C=CC(C)=CC(C)C(OC2OC(C)C(O)C(OC)C2OC)C=C/C=C/c2coc(n2)C1C

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C49H71NO12/c1-31-21-15-11-14-18-26-43(54)62-45(35(5)40(53)28-34(4)51)32(2)22-16-12-13-17-24-39(52)29-42(56-8)36(6)48-50-38(30-59-48)23-19-20-25-41(33(3)27-31)61-49-47(58-10)46(57-9)44(55)37(7)60-49/h11-27,30,32-37,39-42,44-47,49,51-53,55H,28-29H2,1-10H3/b13-12?,14-11+,21-15?,22-16?,23-19+,24-17?,25-20?,26-18?,31-27?

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InChIKey

OVMUGRSUGHRYEC-BURHUTKSSA-N

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(Q105200856)

(18E,28E)-13-(3,5-dihydroxyhexan-2-yl)-5-hydroxy-25-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-3-methoxy-2,12,22,24-tetramethyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one

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