Analyte Name

6beta-Chlorobeclomethasone Dipropionate

Molecular Formula

C28H36Cl2O7

Molecular Weight

555.49

Accurate Mass

554.18

SMILES

O=C1C=C[C@]2(C)[C@@]3(Cl)[C@@H](O)C[C@]4(C)[C@](C(COC(CC)=O)=O)(OC(CC)=O)[C@@H](C)C[C@@]4([H])[C@]3([H])C[C@@H](Cl)C2=C1

InChI

InChI=1S/C28H36Cl2O7/c1-6-23(34)36-14-22(33)28(37-24(35)7-2)15(3)10-17-18-12-20(29)19-11-16(31)8-9-25(19,4)27(18,30)21(32)13-26(17,28)5/h8-9,11,15,17-18,20-21,32H,6-7,10,12-14H2,1-5H3/t15-,17-,18-,20+,21-,25-,26-,27-,28-/m0/s1

IUPAC

(6R,8S,9R,10S,11S,13S,14S,16S,17R)-6,9-dichloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-(propionyloxy)acetyl)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propionate

Alternate CAS Number

6-alpha Isomer: 887130-68-9

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat