(Q104960283)

English

1-[(1R,9R,12R)-12-ethyl-6-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethanone

group of stereoisomers with the chemical formula C₂₂H₃₀N₂O₃

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Statements

instance of

group of stereoisomers

0 references

subclass of

aspidospermine / aspidofractine / kopsane alkaloid

1 reference

inferred from

aspidospermine / aspidofractine / kopsane alkaloid

mass

370.22564282 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀N₂O₃

0 references

canonical SMILES

O=C(N1C2=C(O)C(OC)=CC=C2C34CCN5CCCC(CC)(CCC13)C54)C

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isomeric SMILES

CC[C@@]12CCCN3CC[C@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@@H]4CC1)C32

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found in taxon

Aspidosperma formosanum

1 reference

stated in

Alkaloids of three Aspidosperma species

Identifiers

InChI

InChI=1S/C22H30N2O3/c1-4-21-9-5-12-23-13-11-22(20(21)23)15-6-7-16(27-3)19(26)18(15)24(14(2)25)17(22)8-10-21/h6-7,17,20,26H,4-5,8-13H2,1-3H3/t17-,20?,21-,22-/m1/s1

0 references

InChIKey

CITPXCNSMZMNIW-KSPRAUQHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CITPXCNSMZMNIW-KSPRAUQHSA-N

(Q104960283)

1-[(1R,9R,12R)-12-ethyl-6-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethanone

Statements

Identifiers

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