(Q104393779)

English

[(2S,3S,5R,8R,13S,17S)-8-acetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

group of stereoisomers with the chemical formula C₃₅H₄₉NO₉

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instance of

group of stereoisomers

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627.340732148 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₉NO₉

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canonical SMILES

O=C(OC1C2CC3C1C(OC(=O)C)(CC2OC)C4C(OC)C5C6(COC)CN(CC)C4C35C(OC)CC6)C7=CC=C(OC)C=C7

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isomeric SMILES

CCN1C[C@]2(COC)CCC(OC)C34C1C(C(OC)[C@H]32)[C@@]1(OC(C)=O)CC(OC)[C@H]2C[C@H]4[C@H]1C2OC(=O)c1ccc(OC)cc1

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Identifiers

InChI

InChI=1S/C35H49NO9/c1-8-36-17-33(18-39-3)14-13-25(42-6)35-23-15-22-24(41-5)16-34(45-19(2)37,27(31(35)36)29(43-7)30(33)35)26(23)28(22)44-32(38)20-9-11-21(40-4)12-10-20/h9-12,22-31H,8,13-18H2,1-7H3/t22-,23+,24?,25?,26+,27?,28?,29?,30+,31?,33+,34-,35?/m1/s1

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InChIKey

LYUPEIXJYAJCHL-RRJUMKPBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LYUPEIXJYAJCHL-RRJUMKPBSA-N

(Q104393779)

[(2S,3S,5R,8R,13S,17S)-8-acetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

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