59909-34-1
(1R,4AR,4BS,10AR)-METHYL 2,4B,8,8,10A-PENTAMETHYL-1,4,4A,4B,5,6,7,8,8A,9,10,10A-DODECAHYDROPHENANTHRENE-1-CARBOXYLATE
Name(1R,4AR,4BS,10AR)-METHYL 2,4B,8,8,10A-PENTAMETHYL-1,4,4A,4B,5,6,7,8,8A,9,10,10A-DODECAHYDROPHENANTHRENE-1-CARBOXYLATE
1Identification
【Name】
(1R,4AR,4BS,10AR)-METHYL 2,4B,8,8,10A-PENTAMETHYL-1,4,4A,4B,5,6,7,8,8A,9,10,10A-DODECAHYDROPHENANTHRENE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD12026431
【English Synonyms】
(1R,4AR,4BS,10AR)-2,4B,8,8,10A-PENTAMETHYL-1,4,4A,4B,5,6,7,8,8A,9,10,10A-DODECAHYDRO-PHENANTHRENE-1-CARBOXYLIC ACID METHYL ESTER
(1R,4AR,4BS,10AR)-METHYL 2,4B,8,8,10A-PENTAMETHYL-1,4,4A,4B,5,6,7,8,8A,9,10,10A-DODECAHYDROPHENANTHRENE-1-CARBOXYLATE
【Formula】
C21 H34 O2
【MolWeight】
318.498
【Inchi】
InChI=1S/C21H34O2/c1-14-8-9-16-20(4)12-7-11-19(2,3)15(20)10-13-21(16,5)17(14)18(22)23-6/h8,15-17H,7,9-13H2,1-6H3/t15?,16-,17+,20+,21-/m1/s1
【InChIKey】
InChIKey=WEZOYKKWEAQCIT-BJFWILHESA-N
【SMILES】
CC1=CC[C@@H]2[C@]3(CCCC(C3CC[C@]2([C@@H]1C(=O)OC)C)(C)C)C
【MOL File】
(1R,4AR,4BS,10AR)-ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(1R,4AR,4BS,10AR)-METHYL 2,4B,8,8,10A-PENTAMETHYL-1,4,4A,4B,5,6,7,8,8A,9,10,10A-DODECAHYDROPHENANTHRENE-1-CARBOXYLATE.cml