(Q105119559)

English

1-[(4aS,5R,7S,8aR)-5-[[(1S,9S,11R,13S,17R)-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadeca-2(7),3,5-trien-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone

chemical compound

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instance of

type of chemical entity

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subclass of

1-[5-[(11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadeca-2(7),3,5-trien-5-yl)methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone

1 reference

based on heuristic

inferred from SMILES

mass

463.35626306 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1-[(4aR,5R,7R,8aS)-5-[[(1R,9R,11S,13R,17S)-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadeca-2(7),3,5-trien-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₅N₃O

0 references

canonical SMILES

O=C(N1CCCC2C1CC(C)CC2CC=3N=C4C(=CC3)C5CN(C)C6CC(C)CC(C4)C6C5)C

0 references

isomeric SMILES

CC(=O)N1CCC[C@H]2[C@@H](Cc3ccc4c(n3)C[C@@H]3C[C@@H](C)C[C@H]5[C@@H]3C[C@@H]4CN5C)C[C@H](C)C[C@H]21

0 references

found in taxon

Huperzia lucidula

1 reference

stated in

A new type of Lycopodium alkaloid. The C30N3 alkaloids from Lycopodium lucidulum

Identifiers

InChI

InChI=1S/C30H45N3O/c1-18-11-22-16-28-25(23-15-27(22)29(12-18)32(4)17-23)8-7-24(31-28)14-21-10-19(2)13-30-26(21)6-5-9-33(30)20(3)34/h7-8,18-19,21-23,26-27,29-30H,5-6,9-17H2,1-4H3/t18-,19+,21-,22+,23-,26+,27-,29+,30-/m1/s1

0 references

InChIKey

ISIRLZXRTUYRQA-FATYZCLJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ISIRLZXRTUYRQA-FATYZCLJSA-N

(Q105119559)

1-[(4aS,5R,7S,8aR)-5-[[(1S,9S,11R,13S,17R)-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadeca-2(7),3,5-trien-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone

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