3398-67-2
1ALPHA-METHYL-5ALPHA-ANDROSTAN-3ALPHA-OL-17-ONE
Name1ALPHA-METHYL-5ALPHA-ANDROSTAN-3ALPHA-OL-17-ONE
1Identification
【Name】
1ALPHA-METHYL-5ALPHA-ANDROSTAN-3ALPHA-OL-17-ONE
【CAS】
【MDL】
MFCD16294752
【English Synonyms】
【Formula】
C20 H32 O2
【MolWeight】
304.471
【Inchi】
InChI=1S/C20H32O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h12-17,21H,4-11H2,1-3H3/t12-,13-,14+,15-,16-,17-,19-,20-/m0/s1
【InChIKey】
InChIKey=UBSQZFBBZMBPFF-XHSSWRBBSA-N
【SMILES】
C[C@H]1C[C@H](C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CCC4=O)C)C)O
【MOL File】
1ALPHA-METHYL-5ALPHA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1ALPHA-METHYL-5ALPHA-ANDROSTAN-3ALPHA-OL-17-ONE.cml