3-hydroxy-16-methoxy-2,3-dihydrotabersonine (Q21099579)

16-Methoxy-2,3-dihydro-3-hydroxytabersonine (English)

5 October 2016

chemical formula

C₂₂H₂₈N₂O₄

1 reference

16-Methoxy-2,3-dihydro-3-hydroxytabersonine (English)

5 October 2016

canonical SMILES

CCC12CC(C3C4(C1N(CC4)CC=C2)C5=C(N3)C=C(C=C5)OC)(C(=O)OC)O

1 reference

16-Methoxy-2,3-dihydro-3-hydroxytabersonine (English)

5 October 2016

isomeric SMILES

CC[C@]12C[C@@]([C@H]3[C@@]4([C@H]1N(CC4)CC=C2)C5=C(N3)C=C(C=C5)OC)(C(=O)OC)O

1 reference

16-Methoxy-2,3-dihydro-3-hydroxytabersonine (English)

InChI=1S/C22H28N2O4/c1-4-20-8-5-10-24-11-9-21(18(20)24)15-7-6-14(27-2)12-16(15)23-17(21)22(26,13-20)19(25)28-3/h5-8,12,17-18,23,26H,4,9-11,13H2,1-3H3/t17-,18+,20+,21+,22-/m1/s1

5 October 2016

Identifiers

InChI

1 reference

16-Methoxy-2,3-dihydro-3-hydroxytabersonine (English)

MLIQIRKAHMVCDD-MMGCJVFTSA-N

5 October 2016

InChIKey

2 references

16-Methoxy-2,3-dihydro-3-hydroxytabersonine (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Methyl (2beta,3beta,5alpha,12beta,19alpha)-3-hydroxy-16-methoxy-6,7-didehydroaspidospermidine-3-carboxylate (English)

5 October 2016

2 references

16-Methoxy-2,3-dihydro-3-hydroxytabersonine (English)

matched by identifier from

5 October 2016

InChIKey

MLIQIRKAHMVCDD-MMGCJVFTSA-N

ChEBI ID

18430

mapping relation type

2 references

3-hydroxy-16-methoxy-2,3-dihydrotabersonine (English)