(Q105155928)

English

[(1S,5R,8R,9S,10S,11R,14R,16S,17S,18R,19R)-19-hydroxy-5-methyl-12-methylidene-4-oxo-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-10-yl] (2S)-2-methylbutanoate

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

tropane alkaloids

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atidane / atisine / hetisan type alkaloid

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mass

411.240958536 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₃NO₄

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canonical SMILES

O=C(OC1C2C(=C)CC34CC5N6CC7(C(=O)CCC(C6C13)(C4C2O)C57)C)C(C)CC

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isomeric SMILES

C=C1C[C@]23C[C@H]4[C@H]5[C@]67CCC(=O)[C@@]5(C)CN4[C@@H]6[C@H]2[C@H](OC(=O)[C@@H](C)CC)[C@H]1[C@H](O)[C@@H]73

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found in taxon

Delphinium majus

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stated in

Diterpenoid Alkaloids from Delphinium majus

Identifiers

InChI

InChI=1S/C25H33NO4/c1-5-11(2)22(29)30-18-15-12(3)8-24-9-13-19-23(4)10-26(13)21(16(18)24)25(19,7-6-14(23)27)20(24)17(15)28/h11,13,15-21,28H,3,5-10H2,1-2,4H3/t11-,13-,15+,16+,17-,18+,19+,20+,21+,23+,24-,25-/m0/s1

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InChIKey

LQWKDKOZXSGMGH-MLSYSCIVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LQWKDKOZXSGMGH-MLSYSCIVSA-N

(Q105155928)

[(1S,5R,8R,9S,10S,11R,14R,16S,17S,18R,19R)-19-hydroxy-5-methyl-12-methylidene-4-oxo-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-10-yl] (2S)-2-methylbutanoate

Statements

Identifiers

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