54370-82-0
17ALPHA(H),21BETA(H)-22RS-PENTAKISHOMOHOPANE
Name17ALPHA(H),21BETA(H)-22RS-PENTAKISHOMOHOPANE
1Identification
【Name】
17ALPHA(H),21BETA(H)-22RS-PENTAKISHOMOHOPANE
【CAS】
【MDL】
MFCD09037718
【English Synonyms】
【Formula】
C35 H62
【MolWeight】
482.875
【Inchi】
InChI=1S/C35H62/c1-9-10-11-12-14-25(2)26-17-22-32(5)27(26)18-23-34(7)29(32)15-16-30-33(6)21-13-20-31(3,4)28(33)19-24-35(30,34)8/h25-30H,9-24H2,1-8H3/t25?,26-,27-,28+,29-,30-,32+,33+,34-,35-/m1/s1
【InChIKey】
InChIKey=QERVLFOSJVTUEK-MATCVDHUSA-N
【SMILES】
CCCCCCC(C)[C@H]1CC[C@]2([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C
【MOL File】
17ALPHA(H),21BETA(H)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:13.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
17ALPHA(H),21BETA(H)-22RS-PENTAKISHOMOHOPANE.cml