NSC 226895

Product Specifications

CAS Number

1693-63-6

Synonyms

3β,21-Diacetoxypregn-5-en-20-one; 3β,21-dihydroxy-diacetate Pregn-5-en-20-one; (3β)-3,21-Bis(acetyloxy)pregn-5-en-20-one;

Hazard Statement

No Data Available

Smiles

C[C@@]12[C@](CC[C@@H]2C(COC(C)=O)=O)([H])[C@@]3([H])[C@@](CC1)([H])[C@@]4(C(C[C@H](CC4)OC(C)=O)=CC3)C

Molecular Formula

C25H36O5

Molecular Weight

416.56

InChI

InChI=1S/C25H36O5/c1-15(26)29-14-23(28)22-8-7-20-19-6-5-17-13-18(30-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h5,18-22H,6-14H2,1-4H3/t18-,19-,20-,21-,22+,24-,25-/m0/s1

Additionnal Information

IUPAC name: 2-((3S,8S,9S,10R,13S,14S,17S)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate