Allotetrahydrodeoxycorticosterone
CAS Registry Number®
567-02-2
CAS Name
AllotetrahydrodeoxycorticosteroneMolecular Formula
C21H34O3Molecular Mass
334.49Cite this Page
Allotetrahydrodeoxycorticosterone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=567-02-2 (retrieved ) (CAS RN: 567-02-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
163-166 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1
InChIKey
InChIKey=CYKYBWRSLLXBOW-GDYGHMJCSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@H]2C(CO)=O)[H]
Canonical SMILES
O=C(CO)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
Other Names for this Substance
- Pregnan-20-one, 3,21-dihydroxy-, (3α,5α)-
- 5α-Pregnan-20-one, 3α,21-dihydroxy-
- (3α,5α)-3,21-Dihydroxypregnan-20-one
- Allotetrahydrodeoxycorticosterone
- 3α,21-Dihydroxy-5α-pregnan-20-one
