58893-13-3
(17R)-4-[2-(DIETHYLAMINO)ETHYL]-4,21-SECOAJMALAN-17-OL
Name(17R)-4-[2-(DIETHYLAMINO)ETHYL]-4,21-SECOAJMALAN-17-OL
1Identification
【Name】
(17R)-4-[2-(DIETHYLAMINO)ETHYL]-4,21-SECOAJMALAN-17-OL
【CAS】
【MDL】
MFCD01684335
【English Synonyms】
【Formula】
C26 H41 N3 O
【MolWeight】
411.63
【Inchi】
InChI=1S/C26H41N3O/c1-6-17(4)18-15-21-24-26(19-11-9-10-12-20(19)27(24)5)16-22(23(18)25(26)30)29(21)14-13-28(7-2)8-3/h9-12,17-18,21-25,30H,6-8,13-16H2,1-5H3/t17-,18-,21-,22-,23?,24-,25+,26+/m0/s1
【InChIKey】
InChIKey=DBZUPQBBYWKFDB-ZTYZRDMNSA-N
【SMILES】
CC[C@H](C)[C@@H]1C[C@H]2[C@H]3[C@@]4(C[C@@H](C1[C@H]4O)N2CCN(CC)CC)c5ccccc5N3C
【MOL File】
(17R)-4-[2-(DIETHYLA….mol
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
(17R)-4-[2-(DIETHYLAMINO)ETHYL]-4,21-SECOAJMALAN-17-OL.cml