Catalog Number:
AG005HJ7
Chemical Name:
(24R)-24-METHYLCHOLEST-5-ENE AND (24R)-24-ETHYLCHOLEST-5-ENE
CAS Number:
76866-89-2
Molecular Formula:
C57H98
Molecular Weight:
783.3880
IUPAC Name:
(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
InChI:
InChI=1S/C29H50.C28H48/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6;1-19(2)20(3)10-11-21(4)24-14-15-25-23-13-12-22-9-7-8-17-27(22,5)26(23)16-18-28(24,25)6/h13,20-22,24-27H,7-12,14-19H2,1-6H3;12,19-21,23-26H,7-11,13-18H2,1-6H3/t21-,22-,24+,25-,26+,27+,28+,29-;20-,21-,23+,24-,25+,26+,27+,28-/m11/s1
InChI Key:
RGQYXKLYUCQRKI-SWKPMNRDSA-N
SMILES:
CC([C@@H](CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCCC2)C)C)C.CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCCC2)C