161532-22-5
17-(CYCLOPROPYLMETHYL)-6,7-DEHYDRO-4,5-EPOXY-3-BENZYLOXY-14-HYDROXY-6,7,2',3'-INDOLOMORPHINAN
Name17-(CYCLOPROPYLMETHYL)-6,7-DEHYDRO-4,5-EPOXY-3-BENZYLOXY-14-HYDROXY-6,7,2',3'-INDOLOMORPHINAN
1Identification
【Name】
17-(CYCLOPROPYLMETHYL)-6,7-DEHYDRO-4,5-EPOXY-3-BENZYLOXY-14-HYDROXY-6,7,2',3'-INDOLOMORPHINAN
【CAS】
【MDL】
MFCD01317858
【中文同义词】
【EnglishSynonyms】
4,8-METHANOBENZOFURO[2,3-A]PYRIDO[4,3-B]CARBAZOL-8A(9H)-OL, 7-(CYCLOPROPYLMETHYL)-5,6,7,8,14,14B-HEXAHYDRO-1-(PHENYLMETHOXY-), [8R-(4BS*, 8-ALPHA, 8A-BETA,14B-BETA)]
【pro_formula】
C33 H32 N2 O3
【pro_molWeight】
504.627
【Inchi】
InChI=1S/C33H32N2O3/c36-33-17-24-23-8-4-5-9-25(23)34-29(24)31-32(33)14-15-35(18-20-10-11-20)27(33)16-22-12-13-26(30(38-31)28(22)32)37-19-21-6-2-1-3-7-21/h1-9,12-13,20,27,31,34,36H,10-11,14-19H2/t27-,31+,32+,33-/m1/s1
【InChIKey】
InChIKey=DHBKAQUJRFTZOM-OUDZLNJNSA-N
【SMILES】
c1ccc(cc1)COc2ccc3c4c2O[C@@H]5[C@]46CCN([C@H](C3)[C@@]6(Cc7c5[nH]c8c7cccc8)O)CC9CC9
【MOL File】
17-(CYCLOPROPYLMETHY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
17-(CYCLOPROPYLMETHYL)-6,7-DEHYDRO-4,5-EPOXY-3-BENZYLOXY-14-HYDROXY-6,7,2',3'-INDOLOMORPHINAN.cml