(Q105187155)

English

methyl (1S,15S,18R,19R,20R)-18-hydroxy-7-methoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

yohimbinoid alkaloid

0 references

mass

384.204907376 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1S,15S,18S,19S,20R)-18-hydroxy-7-methoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1S,15R,18R,19R,20R)-18-hydroxy-7-methoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1S,15R,18S,19S,20R)-18-hydroxy-7-methoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈N₂O₄

0 references

canonical SMILES

O=C(OC)C1C(O)CCC2CN3CCC=4C=5C=C(OC)C=CC5NC4C3CC12

0 references

isomeric SMILES

COC(=O)[C@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@@H]3C[C@H]21

0 references

found in taxon

Aspidosperma oblongum

1 reference

stated in

Aspidosperma de Guyane: Alcaloïdes des Graines de Aspidosperma oblongum

Identifiers

InChI

InChI=1S/C22H28N2O4/c1-27-13-4-5-17-16(9-13)14-7-8-24-11-12-3-6-19(25)20(22(26)28-2)15(12)10-18(24)21(14)23-17/h4-5,9,12,15,18-20,23,25H,3,6-8,10-11H2,1-2H3/t12-,15-,18+,19-,20-/m1/s1

0 references

InChIKey

NXFSMEXZBFREEO-WMYWZNLASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NXFSMEXZBFREEO-WMYWZNLASA-N

(Q105187155)

methyl (1S,15S,18R,19R,20R)-18-hydroxy-7-methoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate

Statements

Identifiers

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