(Q110185157)

English

(2R,3S,4R,7R)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-yl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

298.168127944 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(6aS,9R,10R,10aR)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-10-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(6aR,9S,10R,10aS)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-10-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(8beta,9beta)-6,8-Dimethylergolin-9-yl acetate

1 reference

based on heuristic

inferred from InChI

[(6aR,9S,10R,10aR)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-10-yl] acetate

1 reference

based on heuristic

inferred from InChI

[(6aR,9R,10R,10aR)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-10-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₂N₂O₂

0 references

canonical SMILES

O=C(OC1C2C=3C=CC=C4NC=C(C43)CC2N(C)CC1C)C

0 references

isomeric SMILES

CC(=O)O[C@H]1[C@H](C)CN(C)[C@@H]2Cc3c[nH]c4cccc(c34)[C@@H]12

0 references

found in taxon

Aspergillus tamarii

1 reference

stated in

Production of fumigaclavine A by Aspergillus tamarii Kita

Identifiers

InChI

InChI=1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/t10-,15-,17-,18+/m1/s1

0 references

InChIKey

GJSSYQDXZLZOLR-ONUGHKICSA-N

0 references

CAS Registry Number

6879-59-0

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GJSSYQDXZLZOLR-ONUGHKICSA-N

1 reference

NMRShiftDB structure ID

10027406

1 reference

matched by identifier from

InChIKey

GJSSYQDXZLZOLR-ONUGHKICSA-N

DSSTox substance ID

DTXSID40988499

1 reference

matched by identifier from

InChIKey

GJSSYQDXZLZOLR-ONUGHKICSA-N

UNII

DV9FK5AO1K

1 reference

matched by identifier from

InChIKey

GJSSYQDXZLZOLR-ONUGHKICSA-N

(Q110185157)

(2R,3S,4R,7R)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-yl acetate

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Identifiers

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