102491-95-2
(24R)-24-METHYLCHOLESTA-3,5-DIENE AND (24R)-ETHYLCHOLESTA-3,5-DIENE
Name(24R)-24-METHYLCHOLESTA-3,5-DIENE AND (24R)-ETHYLCHOLESTA-3,5-DIENE
1Identification
【Name】
(24R)-24-METHYLCHOLESTA-3,5-DIENE AND (24R)-ETHYLCHOLESTA-3,5-DIENE
【CAS】
【MDL】
MFCD00216292
【English Synonyms】
【Formula】
C29 H48 . C28 H46
【MolWeight】
779.37
【Inchi】
InChI=1S/C29H48.C28H46/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/h8,10,13,20-22,24-27H,7,9,11-12,14-19H2,1-6H3;7,9,12,19-21,23-26H,8,10-11,13-18H2,1-6H3/t21-,22-,24+,25-,26+,27+,28+,29-;20-,21-,23+,24-,25+,26+,27+,28-/m11/s1
【InChIKey】
InChIKey=SULNNAFGAFCCQR-SWKPMNRDSA-N
【SMILES】
CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC=C4)C)C)C(C)C.CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC=C4)C)C
【MOL File】
(24R)-24-METHYLCHOLE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:10.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(24R)-24-METHYLCHOLESTA-3,5-DIENE AND (24R)-ETHYLCHOLESTA-3,5-DIENE.cml