(Q27166585)

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

inferred from SMILES

1 reference

inferred from SMILES

mass

354.194343±0 dalton

1 reference

BRD-K99712306-003-01-2 (English)

9 October 2016

2 references

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

2 references

methyl (1S,15R,18R,19R,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate

2 references

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

2 references

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

1 reference

1 reference

1 reference

methyl (1R,15S,18S,19S,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate

1 reference

1 reference

1 reference

1 reference

C₂₁H₂₆N₂O₃

1 reference

BRD-K99712306-003-01-2 (English)

9 October 2016

canonical SMILES

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

1 reference

BRD-K99712306-003-01-2 (English)

9 October 2016

isomeric SMILES

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

1 reference

BRD-K99712306-003-01-2 (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

BRD-K99712306-003-01-2 (English)

BLGXFZZNTVWLAY-KSOYODCDSA-N

9 October 2016

InChIKey

2 references

BRD-K99712306-003-01-2 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Methyl (3beta,15beta,16alpha,17alpha)-17-hydroxyyohimban-16-carboxylate (English)

9 October 2016

2 references

BRD-K99712306-003-01-2 (English)

matched by identifier from

9 October 2016

InChIKey

BLGXFZZNTVWLAY-KSOYODCDSA-N

ChEBI ID

94821

mapping relation type

2 references

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