6-Methylene progesterone acetate

CAS

32634-95-0

Catalog Number

ACM32634950

Category

Steroidal Compounds

Molecular Weight

384.51

Molecular Formula

C₂₄H₃₂O₄

MSDS COA Spec Sheet

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Specification

Synonyms

17-Hydroxy-6-methylenepregn-4-ene-3,20-dione-17-acetate;6-Methylene-17a-hydroxyprogesterone acetate

IUPAC Name

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

Canonical SMILES

CC(=O)C1(CCC2C1(CCC3C2CC(=C)C4=CC(=O)CCC34C)C)OC(=O)C

InChI Key

YCDZXIYKJHQMIG-GQFGMJRRSA-N

Boiling Point

507.6ºC at 760mmHg

Flash Point

218.7ºC

Density

1.14g/cm³

EC Number

251-133-8

Exact Mass

384.23000

What is the PubChem CID for 6-Methylene progesterone acetate?

The PubChem CID for 6-Methylene progesterone acetate is 94436.

What is the molecular formula of 6-Methylene progesterone acetate?

The molecular formula of 6-Methylene progesterone acetate is C24H32O4.

What is the molecular weight of 6-Methylene progesterone acetate?

The molecular weight of 6-Methylene progesterone acetate is 384.5 g/mol.

What is the IUPAC name of 6-Methylene progesterone acetate?

The IUPAC name of 6-Methylene progesterone acetate is [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-6-methylidene-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate.

What is the InChI of 6-Methylene progesterone acetate?

The InChI of 6-Methylene progesterone acetate is InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13,18-20H,1,6-12H2,2-5H3/t18-,19+,20+,22-,23+,24+/m1/s1.

What is the InChIKey of 6-Methylene progesterone acetate?

The InChIKey of 6-Methylene progesterone acetate is YCDZXIYKJHQMIG-GQFGMJRRSA-N.

What is the Canonical SMILES of 6-Methylene progesterone acetate?

The Canonical SMILES of 6-Methylene progesterone acetate is CC(=O)C1(CCC2C1(CCC3C2CC(=C)C4=CC(=O)CCC34C)C)OC(=O)C.

What is the Computed Properties of 6-Methylene progesterone acetate?

The Computed Properties of 6-Methylene progesterone acetate include molecular weight, XLogP3, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, and defined bond stereocenter count.

What is the CAS number of 6-Methylene progesterone acetate?

The CAS number of 6-Methylene progesterone acetate is 32634-95-0.

What is the ChEMBL ID of 6-Methylene progesterone acetate?

The ChEMBL ID of 6-Methylene progesterone acetate is CHEMBL3349122.