Catalog Number:
AG00FDRX
Chemical Name:
11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-methanesulphonate
CAS Number:
6677-96-9
Molecular Formula:
C22H32O7S
Molecular Weight:
440.5503
MDL Number:
MFCD00272030
IUPAC Name:
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] methanesulfonate
InChI:
InChI=1S/C22H32O7S/c1-20-8-6-14(23)10-13(20)4-5-15-16-7-9-22(26,18(25)12-29-30(3,27)28)21(16,2)11-17(24)19(15)20/h10,15-17,19,24,26H,4-9,11-12H2,1-3H3/t15-,16-,17-,19+,20-,21-,22-/m0/s1
InChI Key:
AFMXNPUMXZCVGU-CWNVBEKCSA-N
SMILES:
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CC[C@]2(O)C(=O)COS(=O)(=O)C)C)C
EC Number:
229-714-2
