54573-77-2
12-HYDROXY-7,8-DIHYDROERGOSTEROL
Name12-HYDROXY-7,8-DIHYDROERGOSTEROL
1Identification
【Name】
12-HYDROXY-7,8-DIHYDROERGOSTEROL
【CAS】
【MDL】
MFCD07368393
【English Synonyms】
10,13-DIMETHYL-17-(1,4,5-TRIMETHYL-HEX-2-ENYL)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECA-HYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-1,3-DIOL
【Formula】
C28 H46 O2
【MolWeight】
414.669
【Inchi】
InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)23-11-12-24-22-10-9-20-15-21(29)13-14-27(20,5)25(22)16-26(30)28(23,24)6/h7-9,17-19,21-26,29-30H,10-16H2,1-6H3/b8-7+/t18-,19+,21-,22-,23+,24-,25-,26?,27-,28+/m0/s1
【InChIKey】
InChIKey=FXWAFDROLPRQFL-WFSKOPQCSA-N
【SMILES】
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(C(C[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)O)C
【MOL File】
12-HYDROXY-7,8-DIHYD….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
12-HYDROXY-7,8-DIHYDROERGOSTEROL.cml