N(4)-demethyl-12-methoxyalstogustine (Q27138835)

CHEBI:70501 (English)

methyl (1S,11S,12S,17S)-12-[(1S)-1-hydroxyethyl]-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate

7 October 2016

stereoisomer of

1 reference

1 reference

C₂₁H₂₆N₂O₄

1 reference

CHEBI:70501 (English)

7 October 2016

canonical SMILES

CC(C1CN2CCC34C2CC1C(=C3NC5=C4C=CC=C5OC)C(=O)OC)O

1 reference

CHEBI:70501 (English)

7 October 2016

isomeric SMILES

C[C@H]([C@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=C4C=CC=C5OC)C(=O)OC)O

1 reference

Strychnan and secoangustilobine A type alkaloids from Alstonia spatulata. Revision of the C-20 configuration of scholaricine

CHEBI:70501 (English)

7 October 2016

1 reference

Alstonia rostrata

1 reference

stated in

Terpenoid indole alkaloids from Winchia calophylla

Identifiers

InChI

InChI=1S/C21H26N2O4/c1-11(24)13-10-23-8-7-21-14-5-4-6-15(26-2)18(14)22-19(21)17(20(25)27-3)12(13)9-16(21)23/h4-6,11-13,16,22,24H,7-10H2,1-3H3/t11-,12+,13-,16+,21-/m1/s1

1 reference

CHEBI:70501 (English)

FNDWOLJMJUSGOB-DJBVCAICSA-N

7 October 2016

InChIKey

2 references

CHEBI:70501 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Methyl (15beta,19R)-19-hydroxy-12-methoxy-2,16-didehydrocuran-17-oate (English)

7 October 2016

2 references

CHEBI:70501 (English)

matched by identifier from

7 October 2016

InChIKey

FNDWOLJMJUSGOB-DJBVCAICSA-N

ChEBI ID

70501

mapping relation type

2 references

N(4)-demethyl-12-methoxyalstogustine (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C21H26N2O4/c1-11(24)13-10-23-8-7-21-14-5-4-6-15(26-2)18(14)22-19(21)17(20(25)27-3)12(13)9-16(21)23/h4-6,11-13,16,22,24H,7-10H2,1-3H3/t11-,12+,13-,16+,21-/m1/s1

1 reference