(1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester (Q27164665)

Methyl (15beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-{[(2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]oxy}yohimban-16-carboxylate

Tsuruselpi S (English)

9 October 2016

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₂N₂O₉

1 reference

Tsuruselpi S (English)

9 October 2016

canonical SMILES

COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C=CC6=CC(=C(C(=C6)OC)OC)OC

1 reference

Tsuruselpi S (English)

9 October 2016

isomeric SMILES

CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C=CC6=CC(=C(C(=C6)OC)OC)OC

1 reference

Tsuruselpi S (English)

InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/t20-,24+,26-,29-,31+,34+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

Tsuruselpi S (English)

SZLZWPPUNLXJEA-LAFLMMDJSA-N

9 October 2016

InChIKey

2 references

Tsuruselpi S (English)

9 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

Methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-{[3-(3,4,5-trimethoxyphenyl)acryloyl]oxy}yohimban-16-carboxylate (English)

9 October 2016

2 references

Tsuruselpi S (English)

matched by identifier from

9 October 2016

InChIKey

SZLZWPPUNLXJEA-LAFLMMDJSA-N

ChEBI ID

92923

mapping relation type

2 references

(1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester (English)