(Q27138743)

1-Hydroxyprotostemonine (English)

(5E)-5-[(1R,2R,3S,6R,11S,13R)-13-hydroxy-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]-4-methoxy-3-methylfuran-2-one

7 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₁NO₇

1 reference

1-Hydroxyprotostemonine (English)

7 October 2016

canonical SMILES

CC1CC(OC1=O)C2CC(C3N2CCCC4C3C(C(=C5C(=C(C(=O)O5)C)OC)O4)C)O

1 reference

1-Hydroxyprotostemonine (English)

7 October 2016

isomeric SMILES

C[C@H]1C[C@H](OC1=O)[C@@H]2C[C@H]([C@@H]3N2CCC[C@@H]4[C@@H]3[C@@H](/C(=C/5\C(=C(C(=O)O5)C)OC)/O4)C)O

1 reference

1-Hydroxyprotostemonine (English)

InChI=1S/C23H31NO7/c1-10-8-16(30-22(10)26)13-9-14(25)18-17-11(2)20(29-15(17)6-5-7-24(13)18)21-19(28-4)12(3)23(27)31-21/h10-11,13-18,25H,5-9H2,1-4H3/b21-20-/t10-,11-,13-,14+,15+,16-,17-,18-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

1-Hydroxyprotostemonine (English)

PVVXZVZMHFPXJR-CJBCMZFDSA-N

7 October 2016

InChIKey

2 references

1-Hydroxyprotostemonine (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5Z)-5-{(1S,3aR,8S,10R,10aR,10bR)-10-Hydroxy-1-methyl-8-[(2S,4S)-4-methyl-5-oxotetrahydro-2-furanyl]decahydro-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-2-ylidene}-4-methoxy-3-methyl-2(5H)-furanone (English)

7 October 2016

2 references