Nazwa analitu

(4R)-4-Propionylphenyl 4-((5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate-D3

Wzór cząsteczkowy

C35 D5 H47 O5

Masa cząsteczkowa

557.815

Dokładna masa

557.413

SMILES

[2H]C([2H])([2H])C([2H])([2H])[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(=O)Oc4ccc(cc4)C(=O)CC)[C@@]3(C)CC[C@@H]2[C@@]5(C)CCC(O)C[C@@H]15

InChI

InChI=1S/C35H52O5/c1-6-25-29-20-23(36)16-18-35(29,5)28-17-19-34(4)26(13-14-27(34)32(28)33(25)39)21(3)8-15-31(38)40-24-11-9-22(10-12-24)30(37)7-2/h9-12,21,23,25-29,32-33,36,39H,6-8,13-20H2,1-5H3/t21-,23?,25-,26-,27+,28+,29+,32+,33-,34-,35-/m1/s1/i1D3,6D2

IUPAC

(4-propanoylphenyl) (4R)-4-[(5S,6R,7R,8S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-6-(1,1,2,2,2-pentadeuterioethyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Typ SIL

Deuterium

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

Postać produktu

Neat