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68-42-8

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Basic Information
CAS No.: 68-42-8
Name: TETRAHYDROCORTICOSTERONE
Article Data: 4
Molecular Structure:
Molecular Structure of 68-42-8 (TETRAHYDROCORTICOSTERONE)
Formula: C21H34O4
Molecular Weight: 350.499
Synonyms: Tetrahydrocorticosterone;3alpha,11beta,21-Trihydroxy-5beta-pregnan-20-one;
EINECS: 200-690-5
Density: 1.18 g/cm3
Melting Point: 144～147℃
Boiling Point: 509.6°C at 760 mmHg
Flash Point: 276.1°C
PSA: 77.76000
LogP: 2.53840
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Specification

The Pregnan-20-one,3,11,21-trihydroxy-, (3a,5b,11b)-, with the CAS registry number 68-42-8, is also known as Tetrahydrocorticosterone. It belongs to the product category of Steroids. Its EINECS number is 200-690-5. This chemical's molecular formula is C21H34O4 and molecular weight is 350.49. What's more, its IUPAC name is 1-[(3R,5R,8S,9S,10S,11S,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC12CCC(CC1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O)O
(2)InChI: InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17+,19-,20+,21+/m1/s1
(3)InChIKey: RHQQHZQUAMFINJ-DTDWNVJFSA-N