5108-93-0
(2S,4AR,4BS,6AS,10AS,10BR)-4A,6A-DIMETHYL-1,2,3,4,4A,4B,5,6,6A,7,10,10A,10B,11-TETRADECAHYDRONAPHTHO[2',1':4,5]INDENO[1,2-C]PYRAZOL-2-OL
Name(2S,4AR,4BS,6AS,10AS,10BR)-4A,6A-DIMETHYL-1,2,3,4,4A,4B,5,6,6A,7,10,10A,10B,11-TETRADECAHYDRONAPHTHO[2',1':4,5]INDENO[1,2-C]PYRAZOL-2-OL
1Identification
【Name】
(2S,4AR,4BS,6AS,10AS,10BR)-4A,6A-DIMETHYL-1,2,3,4,4A,4B,5,6,6A,7,10,10A,10B,11-TETRADECAHYDRONAPHTHO[2',1':4,5]INDENO[1,2-C]PYRAZOL-2-OL
【CAS】
【MDL】
MFCD19705353
【English Synonyms】
(2S,4AR,4BS,6AS,10AS,10BR)-4A,6A-DIMETHYL-1,2,3,4,4A,4B,5,6,6A,7,10,10A,10B,11-TETRADECAHYDRONAPHTHO[2',1':4,5]INDENO[1,2-C]PYRAZOL-2-OL
【Formula】
C20 H28 N2 O
【MolWeight】
312.454
【Inchi】
InChI=1S/C20H28N2O/c1-19-7-5-14(23)10-13(19)3-4-15-16(19)6-8-20(2)17(15)9-12-11-21-22-18(12)20/h3,11,14-17,23H,4-10H2,1-2H3,(H,21,22)/t14-,15+,16-,17-,19-,20-/m0/s1
【InChIKey】
InChIKey=NLDGHLGLNVFXFH-KCMORZRYSA-N
【SMILES】
C[C@]12CC[C@H]3[C@H]([C@@H]1Cc4c2[nH]nc4)CC=C5[C@@]3(CC[C@@H](C5)O)C
【MOL File】
(2S,4AR,4BS,6AS,10AS….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2S,4AR,4BS,6AS,10AS,10BR)-4A,6A-DIMETHYL-1,2,3,4,4A,4B,5,6,6A,7,10,10A,10B,11-TETRADECAHYDRONAPHTHO[2',1':4,5]INDENO[1,2-C]PYRAZOL-2-OL.cml