Corticosterone 21-acetate

CAS

1173-26-8

Catalog Number

ACM1173268

Category

Steroidal Compounds

Molecular Weight

388.5

Molecular Formula

C₂₃H₃₂O₅

MSDS COA Spec Sheet

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Specification

Synonyms

11β,21-Dihydroxy-4-pregnene-3,20-dione 21-Acetate; [2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;

IUPAC Name

[2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]acetate

Canonical SMILES

CC(=O)OCC(=O)C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C

InChI Key

WKQCPUMQBMFPLC-ZWFCQKKLSA-N

Boiling Point

542.2ºC at 760 mmHg

Melting Point

151ºC

Flash Point

183.5ºC

Density

1.2g/cm³

EC Number

214-635-8

Exact Mass

388.22500

Hazard Statements

What is the molecular formula of corticosterone 21-acetate?

The molecular formula of corticosterone 21-acetate is C23H32O5.

What is the molecular weight of corticosterone 21-acetate?

The molecular weight of corticosterone 21-acetate is 388.5 g/mol.

What is the IUPAC name of corticosterone 21-acetate?

The IUPAC name of corticosterone 21-acetate is [2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.

What is the canonical SMILES of corticosterone 21-acetate?

The canonical SMILES of corticosterone 21-acetate is CC(=O)OCC(=O)C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C.

What is the InChI of corticosterone 21-acetate?

The InChI of corticosterone 21-acetate is InChI=1S/C23H32O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h10,16-19,21,26H,4-9,11-12H2,1-3H3/t16-,17-,18+,19-,21+,22-,23-/m0/s1.

What is the CAS number of corticosterone 21-acetate?

The CAS number of corticosterone 21-acetate is 1173-26-8.

What is the XLogP3 value of corticosterone 21-acetate?

The XLogP3 value of corticosterone 21-acetate is 2.5.

How many hydrogen bond donor count does corticosterone 21-acetate have?

Corticosterone 21-acetate has 1 hydrogen bond donor count.

How many hydrogen bond acceptor count does corticosterone 21-acetate have?

Corticosterone 21-acetate has 5 hydrogen bond acceptor count.

What is the topological polar surface area of corticosterone 21-acetate?

The topological polar surface area of corticosterone 21-acetate is 80.7Å².