(Q104921567)

English

(1S,2R,4R,5R,7R,8S,9R,10R,13S,16S,17R)-11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol

chemical compound

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subclass of

(1S,2R,4R,7R,8S,9R,13S,16S,17R)-11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol

1 reference

based on heuristic

inferred from SMILES

(2R,4R,5R,7R,8R,13R,16S,17R)-11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol

1 reference

based on heuristic

inferred from SMILES

(1R,4S,5S,7R,8R,9R,10R,13R,16S)-11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol

1 reference

1 reference

359.246043916 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2R,4R,5R,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol

1 reference

based on heuristic

inferred from InChI

(1R,2S,4R,5R,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol

1 reference

based on heuristic

inferred from InChI

(1S,2S,4S,5R,7R,8R,9S,10S,13S,16R,17S)-11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₃NO₃

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canonical SMILES

OC1C(=C)C2CC13C4CC5C6(C)CN(CC)C4C5(C(O)CC6)C3CC2O

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isomeric SMILES

C=C1[C@H]2C[C@@]3([C@@H]1O)[C@H]1C[C@@H]4[C@]5(C)CC[C@H](O)[C@]4([C@@H]1N(CC)C5)[C@@H]3C[C@H]2O

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found in taxon

Aconitum karakolicum

1 reference

stated in

The Diterpenoid Alkaloids from Aconitum napellus

Aconitum napellus

1 reference

stated in

Isolation of norditerpenoid alkaloids from flowers of aconitum lycoctonum

Brachycaudus aconiti

1 reference

stated in

Diterpenoid Alkaloids from AphidsBrachycaudus aconitiandBrachycaudus napelliFeeding onAconitum napellus1

Brachycaudus napelli

1 reference

stated in

Diterpenoid Alkaloids from AphidsBrachycaudus aconitiandBrachycaudus napelliFeeding onAconitum napellus1

Identifiers

InChI

InChI=1S/C22H33NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3/t12-,13+,14-,15-,16-,17+,18-,19-,20-,21-,22-/m1/s1

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InChIKey

AZAZKLKDEOMJBJ-HDNHVYRBSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104921567)

(1S,2R,4R,5R,7R,8S,9R,10R,13S,16S,17R)-11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol

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