53067-82-6
11A-HYDROXY-18-METHYL-ESTR-4-ENE-3,17-DIONE
Name11A-HYDROXY-18-METHYL-ESTR-4-ENE-3,17-DIONE
1Identification
【Name】
11A-HYDROXY-18-METHYL-ESTR-4-ENE-3,17-DIONE
【CAS】
【MDL】
MFCD22200579
【English Synonyms】
【Formula】
C19 H26 O3
【MolWeight】
302.411
【Inchi】
InChI=1S/C19H26O3/c1-2-19-10-16(21)18-13-6-4-12(20)9-11(13)3-5-14(18)15(19)7-8-17(19)22/h3,13-16,18,21H,2,4-10H2,1H3/t13-,14-,15-,16+,18+,19-/m0/s1
【InChIKey】
InChIKey=BUJMNKMJDIROCW-ZRTWPRGNSA-N
【SMILES】
CC[C@]12C[C@H]([C@@H]3[C@H]4CCC(=O)CC4=CC[C@H]3[C@@H]1CCC2=O)O
【MOL File】
11A-HYDROXY-18-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
11A-HYDROXY-18-METHYL-ESTR-4-ENE-3,17-DIONE.cml