(Q105172655)

English

methyl (1S,15S,16R,18S)-16-[(1S)-1-hydroxyethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

alkaloid

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1-ethyl-2,4-dimethylcyclohexane monoterpenoids

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mass

354.194342692 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆N₂O₃

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canonical SMILES

O=C(OC)C12C=3NC=4C=CC=CC4C3CCN5CC(C1)C(CC52)C(O)C

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isomeric SMILES

COC(=O)[C@]12C[C@@H]3CN(CCc4c1[nH]c1ccccc41)[C@H]2C[C@H]3[C@H](C)O

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found in taxon

Tabernaemontana divaricata

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stated in

New alkaloids from Tabernaemontana divaricata

Identifiers

InChI

InChI=1S/C21H26N2O3/c1-12(24)16-9-18-21(20(25)26-2)10-13(16)11-23(18)8-7-15-14-5-3-4-6-17(14)22-19(15)21/h3-6,12-13,16,18,22,24H,7-11H2,1-2H3/t12-,13+,16-,18-,21-/m0/s1

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InChIKey

MUQIJJGJDAUUMI-LEZVPBBQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MUQIJJGJDAUUMI-LEZVPBBQSA-N

(Q105172655)

methyl (1S,15S,16R,18S)-16-[(1S)-1-hydroxyethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

Statements

Identifiers

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