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Merck
CN

81575

5β-Pregnane-3α,17α,20α-triol

≥99.0% (TLC)

Synonym(s):

3α,17α,20α-Trihydroxy-5β-pregnane, Pregnanetriol

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About This Item

Empirical Formula (Hill Notation):
C21H36O3
CAS Number:
1098-45-9
Molecular Weight:
336.51
EC Number:
214-148-0
UNSPSC Code:
12352200
MDL number:
MFCD00003678
Beilstein/REAXYS Number:
2619975

Key Documents

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assay

≥99.0% (TLC)

solubility

chloroform/methanol (9:1): 50 mg/mL, clear, colorless

SMILES string

[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4(O)[C@H](C)O)[C@@]1(C)CC[C@@H](O)C2

InChI

1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1

InChI key

SCPADBBISMMJAW-UHHUKTEYSA-N

Other Notes

Reference substance for the identification of pregnanetriol in body fluids

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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S Gröndal et al.
Acta endocrinologica, 122(5), 656-663 (1990-05-01)
The urinary steroid profile was determined in 24 patients with adrenocortical carcinoma. Seventeen of the patients had Cushing's syndrome, virilization or feminization, and 7 had no signs of endocrine disease. Seven of the 11 patients still alive are free of

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