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CHEBI:125518 - (1R,15S,17R,18R,19S,20S)-3-[2-(diethylamino)ethyl]-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylic acid methyl ester

ChEBI IDCHEBI:125518
ChEBI Name(1R,15S,17R,18R,19S,20S)-3-[2-(diethylamino)ethyl]-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylic acid methyl ester
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC39H53N3O9
Net Charge0
Average Mass707.865
Monoisotopic Mass707.37818
SMILESCCN(CC)CCn1c2c(c3ccc(OC)cc31)CCN1C[C@H]3C[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)[C@H](OC)[C@@H](C(=O)OC)[C@H]3C[C@H]21
InChIInChI=1S/C39H53N3O9/c1-9-40(10-2)15-16-42-29-20-25(45-3)11-12-26(29)27-13-14-41-22-24-19-33(37(49-7)34(39(44)50-8)28(24)21-30(41)35(27)42)51-38(43)23-17-31(46-4)36(48-6)32(18-23)47-5/h11-12,17-18,20,24,28,30,33-34,37H,9-10,13-16,19,21-22H2,1-8H3/t24-,28+,30-,33-,34+,37+/m1/s1
InChIKeyWFTSRDISOMSAQC-ZNFOTRSXSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(1R,15S,17R,18R,19S,20S)-3-[2-(diethylamino)ethyl]-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylic acid methyl ester (CHEBI:125518) is a yohimban alkaloid (CHEBI:27358)
Synonyms  Source
diethylaminoreserpinDrugCentral
N-DiethylaminoethylreserpineDrugCentral
Manual XrefsDatabases
LSM-37027LINCS
3687DrugCentral
Registry NumbersSources
CAS:53-18-9DrugCentral