(Q104403397)

English

[(1R,2R,3S,5S,7R,8R,12R,13R,21R)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate

group of stereoisomers with the chemical formula C₂₄H₃₃NO₄

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Statements

instance of

group of stereoisomers

0 references

1 reference

atidane / atisine / hetisan type alkaloid

1 reference

inferred from

atidane / atisine / hetisan type alkaloid

mass

399.240958536 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₄H₃₃NO₄

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canonical SMILES

O=C(OC1C(=C)C2CCC13C4OC5N6CCOC6C7(C)CCCC5(C7C4)C3C2)C

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isomeric SMILES

C=C1[C@H]2CC[C@]3([C@H]1OC(C)=O)[C@H]1C[C@@H]4[C@@]5(C)CCC[C@@]4(C(O1)N1CCO[C@@H]15)[C@@H]3C2

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found in taxon

Kerria japonica

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stated in

Diterpene alkaloids from roots of Spiraea japonica

Identifiers

InChI

InChI=1S/C24H33NO4/c1-13-15-5-8-24(19(13)28-14(2)26)17(11-15)23-7-4-6-22(3)16(23)12-18(24)29-21(23)25-9-10-27-20(22)25/h15-21H,1,4-12H2,2-3H3/t15-,16+,17-,18+,19-,20+,21?,22+,23-,24+/m0/s1

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InChIKey

ZPELMDXCJZDIBP-FOZPVUNSSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

ZPELMDXCJZDIBP-FOZPVUNSSA-N

1 reference

(Q104403397)

[(1R,2R,3S,5S,7R,8R,12R,13R,21R)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-3-yl] acetate

Statements

Identifiers

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