21-Deoxy cortisol

CAS

641-77-0

Catalog Number

ACM641770

Category

Steroidal Compounds

Molecular Weight

346.46

Molecular Formula

C₂₁H₃₀O₄

MSDS COA Spec Sheet

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Specification

Synonyms

21-deoxycortisol; 21-Deoxyhydrocortisone; 21-Dehydrohydrocortisone; 21-DESOXYCORTISOL; 21 DEOXYCORTISOL 21-DESOXYCORTISOL; 4-pregnene-11-B-17-A-diol-3-20-dione; 4-Pregnen-11,17a-diol-3,20-dione-d8;

IUPAC Name

(8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Canonical SMILES

CC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O

InChI Key

LCZBQMKVFQNSJR-UJPCIWJBSA-N

Boiling Point

523.9ºC at 760 mmHg

Flash Point

284.7ºC

Density

1.21g/cm³

EC Number

211-375-7

Exact Mass

346.21400

What is the molecular formula of 21-Deoxy cortisol?

The molecular formula of 21-Deoxy cortisol is C21H30O4.

What are some synonyms for 21-Deoxy cortisol?

Some synonyms for 21-Deoxy cortisol include 21-Deoxycortisol and 21-DESOXYCORTISOL.

What is the molecular weight of 21-Deoxy cortisol?

The molecular weight of 21-Deoxy cortisol is 346.5 g/mol.

What is the IUPAC name of 21-Deoxy cortisol?

The IUPAC name of 21-Deoxy cortisol is (8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.

What is the InChIKey of 21-Deoxy cortisol?

The InChIKey of 21-Deoxy cortisol is LCZBQMKVFQNSJR-UJPCIWJBSA-N.

What is the canonical SMILES representation of 21-Deoxy cortisol?

The canonical SMILES representation of 21-Deoxy cortisol is CC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O.

What is the CAS number of 21-Deoxy cortisol?

The CAS number of 21-Deoxy cortisol is 641-77-0.

What is the XLogP3 value of 21-Deoxy cortisol?

The XLogP3 value of 21-Deoxy cortisol is 1.7.

How many hydrogen bond donor counts does 21-Deoxy cortisol have?

21-Deoxy cortisol has 2 hydrogen bond donor counts.

What is the topological polar surface area of 21-Deoxy cortisol?

The topological polar surface area of 21-Deoxy cortisol is 74.6Å².