5β-Pregnan-3α-ol-20-one-d4 (contains 10% toluene)

CAS: 96737-93-8

Ref. TR-P711302

Product Information

• Name: 5β-Pregnan-3α-ol-20-one-d4 (contains 10% toluene)
• Synonyms: (3a,5ß)-3-Hydroxy-pregnan-20-one-17,21,21,21-d4, (3a,5ß)-3-Hydroxy-pregnan-20-one-d4, 3-Deoxo-3a-hydroxy-5ß-dihydroprogesterone-d4, 3a,5ß-Pregnanolone-d4, 3a,5ß-Tetrahydroprogesterone-d4, 3a-Hydroxy-20-oxo-5ß-pregnane-d4, 3a-Hydroxy-5ß-tetrahydroprogesterone-d4, NSC 82867-d4, 5B-Pregnan-3A-Ol-20-One-17,21,21,21-D4

Description

Applications 5β-Pregnan-3α-ol-20-one-d4 is a labelled analogue of 5β-Pregnan-3α-ol-20-one (P711300), which is a hyponotic-anaesthetic agent. It is also an intermediate in synthesizing Pregnanediol-d5 3α-O-β-D-Glucuronide (P705142), which is a glucuronide conjugate of Pregnanediol (P705130). Levels of Pregnanediol 3α-O-β-D-Glucuronide can be used to monitor the reproductive status of dairy cows. 3α-O-β-D-Glucuronide can be used (as an alternative to creatine) as a reference to adjust other hormonal markers in study of urinary hormonal profiles in the human menstrual cycle.
References Yang, C.J. et al.: Asian-Austral. J. Anim. Sci., 17, 460 (2004); Miro, F. et al.: Clin. Chem. Lab. Med., 42, 1043 (2004); Gyermek, et al.: J. Med. Chem., 11, 117 (1968);

• Brand: TRC

Chemical properties

• Molecular weight: 322.52
• Formula: C₂₁H₃₀D₄O₂
• Color/Form: Neat
• InChI: InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1/i1D3,17D
• InChI key: InChIKey=AURFZBICLPNKBZ-KWXKYAJASA-N
• SMILES: [2H]C([2H])([2H])C(=O)[C@@]1([2H])CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C