(Q104393778)

English

(1S,5S,8R,10R,13S)-8-(acetyloxy)-11-ethyl-5-hydroxy-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 C₃₅H₄₉NO₁₀

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instance of

group of stereoisomers

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1 reference

643.335646768 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₉NO₁₀

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canonical SMILES

O=C(OC1C2C3CC1(O)C(OC)CC2(OC(=O)C)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)[C@@]34C5C[C@]6(O)C(OC)C[C@@](OC(C)=O)(C5C6OC(=O)c5ccc(OC)cc5)C(C(OC)C23)[C@@H]14

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found in taxon

Aconitum

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stated in

THE ALKALOIDS OF ACONITUM NAPELLUS.

Identifiers

InChI

InChI=1S/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/t22?,23?,24?,25?,26?,27?,28?,29-,30?,32+,33+,34-,35+/m1/s1

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InChIKey

GAZDXIGXYWVWQX-MRRNIPHUSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104393778)

(1S,5S,8R,10R,13S)-8-(acetyloxy)-11-ethyl-5-hydroxy-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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