(Q105251049)

English

[10,12,14,16,23-Pentahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 3,4-dimethoxybenzoate

group of stereoisomers with the chemical formula C₄₁H₅₉NO₁₂

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instance of

group of stereoisomers

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1 reference

757.403726328 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₅₉NO₁₂

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canonical SMILES

O=C(OC1CCC2(C)C3CC(O)C4C5(O)C(OC(=O)C(C)CC)C(O)C6C(CN7CC(C)CCC7C6(O)C)C5CC42OC13O)C8=CC=C(OC)C(OC)=C8

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Identifiers

InChI

InChI=1S/C41H59NO12/c1-8-21(3)35(45)53-34-32(44)31-23(19-42-18-20(2)9-12-29(42)38(31,5)47)24-17-39-33(40(24,34)48)25(43)16-28-37(39,4)14-13-30(41(28,49)54-39)52-36(46)22-10-11-26(50-6)27(15-22)51-7/h10-11,15,20-21,23-25,28-34,43-44,47-49H,8-9,12-14,16-19H2,1-7H3

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InChIKey

SEDYNUHTSUXLHA-UHFFFAOYSA-N

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2 references

30 June 2023

inferred from InChIKey

matched by identifier from

InChIKey

SEDYNUHTSUXLHA-UHFFFAOYSA-N

(Q105251049)

[10,12,14,16,23-Pentahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 3,4-dimethoxybenzoate

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