(Q105258420)

English

[(1R,2R,4S,5R,7R,8R,9R,11S,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-oxido-11-azoniahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-yl] acetate

group of stereoisomers with the chemical formula C₂₄H₃₅NO₅

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Statements

instance of

group of stereoisomers

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subclass of

napelline-type alkaloid

1 reference

inferred from

napelline-type alkaloid

mass

417.25152322 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₅NO₅

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canonical SMILES

O=C(OC1CC2C3(CC1C(=C)C3O)C4CC5C6(C)CCC(O)C52C4[N+]([O-])(CC)C6)C

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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(C1[N@+]([O-])(CC)C5)[C@@H]3C[C@@H]2OC(C)=O

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found in taxon

Aconitum soongaricum

1 reference

stated in

Alkaloids ofAconitum saposhnikovii andA. karacolicum

Identifiers

InChI

InChI=1S/C24H35NO5/c1-5-25(29)11-22(4)7-6-19(27)24-17(22)8-15(20(24)25)23-10-14(12(2)21(23)28)16(9-18(23)24)30-13(3)26/h14-21,27-28H,2,5-11H2,1,3-4H3/t14-,15+,16+,17-,18-,19+,20?,21-,22+,23+,24+,25+/m1/s1

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InChIKey

SQRGUSMGAJODON-FGDKTMCXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SQRGUSMGAJODON-FGDKTMCXSA-N

(Q105258420)

[(1R,2R,4S,5R,7R,8R,9R,11S,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-oxido-11-azoniahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-yl] acetate

Statements

Identifiers

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