(Q104402753)

English

[(1S,11S,13S)-15-hydroxy-14-methoxy-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-yl] 4-hydroxy-3-methoxybenzoate

group of stereoisomers with the chemical formula C₂₆H₂₇NO₉

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instance of

group of stereoisomers

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1 reference

497.168581444 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₆H₂₇NO₉

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canonical SMILES

O=C(OC1CC23C4=CC=5OCOC5C=C4C6OC(OC)(C1O)C3(NCC2)C6)C7=CC=C(O)C(OC)=C7

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isomeric SMILES

COc1cc(C(=O)OC2C[C@]34CCN[C@@]35C[C@H](OC5(OC)C2O)c2cc3c(cc24)OCO3)ccc1O

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1 reference

Identifiers

InChI

InChI=1S/C26H27NO9/c1-31-17-7-13(3-4-16(17)28)23(30)35-21-10-24-5-6-27-25(24)11-20(36-26(25,32-2)22(21)29)14-8-18-19(9-15(14)24)34-12-33-18/h3-4,7-9,20-22,27-29H,5-6,10-12H2,1-2H3/t20-,21?,22?,24-,25-,26?/m0/s1

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InChIKey

BTDVYOKUHWMJJD-BDHAIAMPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BTDVYOKUHWMJJD-BDHAIAMPSA-N

(Q104402753)

[(1S,11S,13S)-15-hydroxy-14-methoxy-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-yl] 4-hydroxy-3-methoxybenzoate

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