21-Acetoxypregnenolone

CAS

566-78-9

Catalog Number

ACM566789

Category

Steroidal Compounds

Molecular Weight

374.51

Molecular Formula

C₂₃H₃₄O₄

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

Acetoxanon, Artisone, Artisone acetate, Prebediolone acetate, Pregnenolone 21-acetate, 21-ACETOXYPREGNENOLONE, MLS000069530, MLS001146901, A.O.P., NSC66372, ZINC04081996, SMR000058628, 21-Acetoxy-3.beta.-hydroxypregn-5-en-20-one, 3.beta.-Hydroxy-21-acetoxypregn-5-en-20-one, Pregn-5-en-20-one, 3.beta.,21-dihydroxy-, 21-acetate, Pregn-5-en-20-one, 21-(acetyloxy)-3-hydroxy-, (3.beta.)-, 566-78-9

IUPAC Name

[2-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Canonical SMILES

CC(=O)OCC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

InChI Key

MDJRZSNPHZEMJH-MTMZYOSNSA-N

Boiling Point

500.2ºC at 760mmHg

Flash Point

166.6ºC

Density

1.15g/cm³

EC Number

209-298-9

Exact Mass

374.24600

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 21-Acetoxypregnenolone?

The molecular formula of 21-Acetoxypregnenolone is C23H34O4.

What is the molecular weight of 21-Acetoxypregnenolone?

The molecular weight of 21-Acetoxypregnenolone is 374.5 g/mol.

What is the IUPAC name of 21-Acetoxypregnenolone?

The IUPAC name of 21-Acetoxypregnenolone is [2-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.

What is the InChI of 21-Acetoxypregnenolone?

The InChI of 21-Acetoxypregnenolone is InChI=1S/C23H34O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h4,16-20,25H,5-13H2,1-3H3/t16-,17-,18-,19-,20+,22-,23-/m0/s1.

What is the InChIKey of 21-Acetoxypregnenolone?

The InChIKey of 21-Acetoxypregnenolone is MDJRZSNPHZEMJH-MTMZYOSNSA-N.

What is the canonical SMILES of 21-Acetoxypregnenolone?

The canonical SMILES of 21-Acetoxypregnenolone is CC(=O)OCC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C).

What is the CAS number of 21-Acetoxypregnenolone?

The CAS number of 21-Acetoxypregnenolone is 566-78-9.

What is the ChEMBL ID of 21-Acetoxypregnenolone?

The ChEMBL ID of 21-Acetoxypregnenolone is CHEMBL1328310.

What is the UNII of 21-Acetoxypregnenolone?

The UNII of 21-Acetoxypregnenolone is DX3XOD2S6B.

What is the Wikipedia page for 21-Acetoxypregnenolone?

The Wikipedia page for 21-Acetoxypregnenolone is Prebediolone_acetate.