(Q105025107)

English

(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-methoxy-5-(3-methylbut-2-en-1-yl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-methoxy-5-(3-methylbut-2-enyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

521.262481828 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₉NO₉

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canonical SMILES

O=C(OC1CC2N(C)C(CC2)C1)C3=CC(OC)=C(OC4OC(CO)C(O)C(O)C4O)C(=C3)CC=C(C)C

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isomeric SMILES

COc1cc(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)cc(CC=C(C)C)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Distimake guerichii

1 reference

stated in

Chemotaxonomy of the pantropical genus Merremia (Convolvulaceae) based on the distribution of tropane alkaloids

Identifiers

InChI

InChI=1S/C27H39NO9/c1-14(2)5-6-15-9-16(26(33)35-19-11-17-7-8-18(12-19)28(17)3)10-20(34-4)25(15)37-27-24(32)23(31)22(30)21(13-29)36-27/h5,9-10,17-19,21-24,27,29-32H,6-8,11-13H2,1-4H3/t17-,18+,19+,21-,22-,23+,24-,27+/m1/s1

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InChIKey

HAWPTRHHUNNNJJ-KWFCIQJYSA-N

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(Q105025107)

(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-methoxy-5-(3-methylbut-2-en-1-yl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate

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