543906-09-8
(3AR,4S,7AR)-OCTAHYDRO-4-HYDROXY-4-[2-(3-METHYLPHENYL)ETHYNYL]-1H-INDOLE-1-CARBOXYLIC ACID METHYL ESTER
Name
(3AR,4S,7AR)-OCTAHYDRO-4-HYDROXY-4-[2-(3-METHYLPHENYL)ETHYNYL]-1H-INDOLE-1-CARBOXYLIC ACID METHYL ESTER
Formula
C19 H23 N O3
MolWeight
313.395
1Identification
【Name】
(3AR,4S,7AR)-OCTAHYDRO-4-HYDROXY-4-[2-(3-METHYLPHENYL)ETHYNYL]-1H-INDOLE-1-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD18633263
【English Synonyms】
【Formula】
C19 H23 N O3
【MolWeight】
313.395
【Inchi】
InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1
【InChIKey】
InChIKey=ZFPZEYHRWGMJCV-ZHALLVOQSA-N
【SMILES】
Cc1cccc(c1)C#C[C@@]2(CCC[C@@H]3[C@H]2CCN3C(=O)OC)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3AR,4S,7AR)-OCTAHYDRO-4-HYDROXY-4-[2-(3-METHYLPHENYL)ETHYNYL]-1H-INDOLE-1-CARBOXYLIC ACID METHYL ESTER.cml
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Catalog No:DC7681 10mg
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