(1S,15R,18S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester (Q27163735)

Spectrum_000211 (English)

9 October 2016

chemical formula

C₂₁H₂₆N₂O₃

1 reference

Spectrum_000211 (English)

9 October 2016

canonical SMILES

COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O

1 reference

Spectrum_000211 (English)

9 October 2016

isomeric SMILES

COC(=O)C1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O

1 reference

Spectrum_000211 (English)

InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19?/m0/s1

9 October 2016

Identifiers

InChI

1 reference

Spectrum_000211 (English)

BLGXFZZNTVWLAY-AMZRAFDVSA-N

9 October 2016

InChIKey

2 references

Spectrum_000211 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Methyl (17alpha)-17-hydroxyyohimban-16-carboxylate (English)

9 October 2016

2 references

Spectrum_000211 (English)

matched by identifier from

9 October 2016

InChIKey

BLGXFZZNTVWLAY-AMZRAFDVSA-N

ChEBI ID

91937

mapping relation type

2 references

(1S,15R,18S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester (English)