(Q27106883)

Horhammericine (English)

methyl (1R,12S,13S,15R,20R)-12-[(1R)-1-hydroxyethyl]-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate

5 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

methyl (1R,12S,13R,15S,20R)-12-[(1S)-1-hydroxyethyl]-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate

1 reference

based on heuristic

inferred from InChI

methyl (1R,12S,13R,15S,20S)-12-[(1S)-1-hydroxyethyl]-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₄N₂O₄

1 reference

Horhammericine (English)

5 October 2016

canonical SMILES

CC(C12CC(=C3C4(C1N(CC4)CC5C2O5)C6=CC=CC=C6N3)C(=O)OC)O

1 reference

Horhammericine (English)

5 October 2016

isomeric SMILES

CC([C@]12CC(=C3[C@@]4([C@H]1N(CC4)CC5C2O5)C6=CC=CC=C6N3)C(=O)OC)O

1 reference

Alkaloide aus Catharanthus roseus-Zellkulturen, II [1] / Alkaloids from Catharanthus roseus Tissue Cultures, II [1]

Horhammericine (English)

5 October 2016

1 reference

Identifiers

InChI

InChI=1S/C21H24N2O4/c1-11(24)21-9-12(18(25)26-2)16-20(13-5-3-4-6-14(13)22-16)7-8-23(19(20)21)10-15-17(21)27-15/h3-6,11,15,17,19,22,24H,7-10H2,1-2H3/t11-,15+,17+,19-,20+,21+/m1/s1

0 references

InChIKey

QVNXPWJNUKKMHP-JJGNIUBRSA-N

1 reference

stated in

ChEBI release 2020-09-01

1 reference

Methyl (5alpha,12beta,19alpha,20R)-20-hydroxy-2,3-didehydro-6,7-epoxyaspidospermidine-3-carboxylate (English)

5 October 2016

0 references

mapping relation type

2 references

Horhammericine (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C21H24N2O4/c1-11(24)21-9-12(18(25)26-2)16-20(13-5-3-4-6-14(13)22-16)7-8-23(19(20)21)10-15-17(21)27-15/h3-6,11,15,17,19,22,24H,7-10H2,1-2H3/t11-,15+,17+,19-,20+,21+/m1/s1

1 reference

1 reference

Horhammericine (English)