(Q105196548)

English

(10-Hydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-18-yl) acetate

group of stereoisomers with the chemical formula C₂₂H₂₇NO₄

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Statements

group of stereoisomers

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atidane / atisine / hetisan type alkaloid

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atidane / atisine / hetisan type alkaloid

based on heuristic

inferred from SMILES

369.19400834399994 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₇NO₄

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canonical SMILES

O=C(OC12CC3C(=C)CC42CC5N6CC7(C)CC(=O)CC1(C6C4C3O)C57)C

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Identifiers

InChI=1S/C22H27NO4/c1-10-4-20-8-14-17-19(3)5-12(25)6-21(17)18(23(14)9-19)15(20)16(26)13(10)7-22(20,21)27-11(2)24/h13-18,26H,1,4-9H2,2-3H3

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OPSQHQOWJPAFNK-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

OPSQHQOWJPAFNK-UHFFFAOYSA-N

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