(Q105347337)

English

(1S,2S,3S,4R,5R,6R,8R,9R,10S,13S,14S,16R,17S)-11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,14-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

11-Ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,14-triol

1 reference

based on heuristic

inferred from SMILES

mass

393.25152322 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2R,3R,4R,5S,6R,8S,9R,10S,13S,14S,16R,17S)-11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,14-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₅NO₅

0 references

canonical SMILES

OC1CC(OC)C23C4N(CC)CC1C3CC4C5(O)CC(OC)C6CC2C5C6O

0 references

isomeric SMILES

CCN1C[C@H]2[C@@H](O)C[C@@H](OC)[C@]34[C@H]2C[C@H]([C@H]13)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@@H]2O

0 references

found in taxon

Aconitum toxicum

1 reference

stated in

Bisnorditerpene, Norditerpene, and Lipo-alkaloids fromAconitum toxicum

Identifiers

InChI

InChI=1S/C22H35NO5/c1-4-23-9-11-12-6-14-20(23)22(12,17(28-3)7-15(11)24)13-5-10-16(27-2)8-21(14,26)18(13)19(10)25/h10-20,24-26H,4-9H2,1-3H3/t10-,11+,12-,13-,14+,15-,16+,17+,18-,19+,20-,21+,22+/m0/s1

0 references

InChIKey

YEOLFWLRGOEFNZ-ZWZKQCKGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YEOLFWLRGOEFNZ-ZWZKQCKGSA-N

(Q105347337)

(1S,2S,3S,4R,5R,6R,8R,9R,10S,13S,14S,16R,17S)-11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,14-triol

Statements

Identifiers

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