Nombre del analito

11b,21-Dihydroxypregna-6-a-methyl1,4,16-triene-3,20-dione

Fórmula molecular

C22H28O4

Peso molecular

356.46

Masa exacta

356.2

SMILES

O=C(CO)C1=CC[C@@]2([H])[C@]3([H])C[C@H](C)C4=CC(C=C[C@]4(C)[C@@]3([H])[C@@H](O)C[C@@]21C)=O

InChI

InChI=1S/C22H28O4/c1-12-8-14-15-4-5-16(19(26)11-23)22(15,3)10-18(25)20(14)21(2)7-6-13(24)9-17(12)21/h5-7,9,12,14-15,18,20,23,25H,4,8,10-11H2,1-3H3/t12-,14-,15-,18-,20+,21-,22-/m0/s1

IUPAC

(6S,8S,9S,10R,11S,13S,14S)-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-6,7,8,9,10,11,12,13,14,15-decahydro-3H-cyclopenta[a]phenanthren-3-one

País de origen

CANADA

Formato del producto

Neat