(Q105349590)

English

(1R,5R,8R,9S,11R,14S,16R,17R,18R,19R)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-16,19-diol

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

313.204179104 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₇NO₂

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canonical SMILES

OC1C2C(=C)CC34CC5(O)N6CC7(C)CCCC(C6C3C2)(C14)C57

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isomeric SMILES

C=C1C[C@]23C[C@@]4(O)[C@@H]5[C@@]6(C)CCC[C@]57[C@@H]([C@H]2C[C@H]1[C@@H](O)[C@H]37)N4C6

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found in taxon

Delphinium venulosum

1 reference

stated in

Two C20 diterpenoid alkaloids from Delphinium venulosum

Identifiers

InChI

InChI=1S/C20H27NO2/c1-10-7-18-8-20(23)16-17(2)4-3-5-19(16)14(18)13(22)11(10)6-12(18)15(19)21(20)9-17/h11-16,22-23H,1,3-9H2,2H3/t11-,12-,13-,14-,15-,16-,17+,18+,19+,20-/m1/s1

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InChIKey

YKBXNPOUSBTDDB-PRLMBHFFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YKBXNPOUSBTDDB-PRLMBHFFSA-N

(Q105349590)

(1R,5R,8R,9S,11R,14S,16R,17R,18R,19R)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-16,19-diol

Statements

Identifiers

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