516-72-3
20ALPHA-HYDROXYCHOLESTEROL
Name20ALPHA-HYDROXYCHOLESTEROL
1Identification
【Name】
20ALPHA-HYDROXYCHOLESTEROL
【CAS】
【MDL】
MFCD16661190
【English Synonyms】
【Formula】
C27 H46 O2
【MolWeight】
402.658
【Inchi】
InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
【InChIKey】
InChIKey=MCKLJFJEQRYRQT-APGJSSKUSA-N
【SMILES】
CC(C)CCC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O
【MOL File】
20ALPHA-HYDROXYCHOLE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:2
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
20ALPHA-HYDROXYCHOLESTEROL.cml