(Q104999695)

English

[(1R,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,18R)-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-aminobenzoate

group of stereoisomers with the chemical formula C₃₀H₄₂N₂O₈

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instance of

group of stereoisomers

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558.294116304 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₂N₂O₈

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canonical SMILES

O=C(OCC12CNC3C4(O)C(OC)C1C3(C(OC)CC2)C5CC6C(OC)CC4(O)C5C6OC)C=7C=CC=CC7N

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isomeric SMILES

CO[C@H]1C[C@@]2(O)[C@H]3[C@@H](OC)[C@@H]1C[C@H]3[C@@]13C4[C@@H](OC)[C@]2(O)[C@@H]1NC[C@]4(COC(=O)c1ccccc1N)CC[C@@H]3OC

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Identifiers

InChI

InChI=1S/C30H42N2O8/c1-36-19-12-28(34)21-17(11-16(19)22(21)38-3)29-20(37-2)9-10-27(14-40-25(33)15-7-5-6-8-18(15)31)13-32-26(29)30(28,35)24(39-4)23(27)29/h5-8,16-17,19-24,26,32,34-35H,9-14,31H2,1-4H3/t16-,17-,19+,20+,21-,22+,23?,24-,26-,27+,28-,29-,30+/m1/s1

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InChIKey

FQLGRUIOHPVKHY-NXPPYHCOSA-N

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(Q104999695)

[(1R,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,18R)-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-aminobenzoate

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