Structure

D-Ethylgonendione

CAS
21800-83-9
Catalog Number
ACM21800839
Category
Steroidal Compounds
Molecular Weight
286.41
Molecular Formula
C19H26O2

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Specification

Synonyms
13b-Ethyl-11-methylenegon-4-en-17-one; 18-Methylestr-4-en-3,17-dione; 18a-homo-estr-4-en-3,17-dione; 18-methyl-11-methylene-4-estren-17-one; 18-methyl-4-estrene-3,17-dione; 13-ethyl-11-methylengon-4-ene; 13-ethyl-11-methylenegona-4-en-17-one; Desogestrel InterMediates; 13-Ethyl-11-methylene-gon-4-en-17-one; 18-methyl-4-estren-3,17-dione; Desogestrel EP IMpurity C; 11-methylene-18a-homo-estr-4-en-17-one;
IUPAC Name
D-Ethylgonendione
Boiling Point
445.2ºC at 760 mmHg
Melting Point
1676-167ºC
Flash Point
166ºC
Density
1.11 g/cm³
Appearance
Light yellow crystalline solid
Exact Mass
286.19300
What is the molecular formula of D-Ethylgonendione?

The molecular formula of D-Ethylgonendione is C19H26O2.

What is the molecular weight of D-Ethylgonendione?

The molecular weight of D-Ethylgonendione is 286.4 g/mol.

What is the IUPAC name of D-Ethylgonendione?

The IUPAC name of D-Ethylgonendione is (8R,9S,10R,13S,14S)-13-ethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione.

What is the InChI of D-Ethylgonendione?

The InChI of D-Ethylgonendione is InChI=1S/C19H26O2/c1-2-19-10-9-15-14-6-4-13(20)11-12(14)3-5-16(15)17(19)7-8-18(19)21/h11,14-17H,2-10H2,1H3/t14-,15+,16+,17-,19-/m0/s1.

What is the InChIKey of D-Ethylgonendione?

The InChIKey of D-Ethylgonendione is SBLHOJQRZNGHLQ-ATIFRJIPSA-N.

What is the canonical SMILES of D-Ethylgonendione?

The canonical SMILES of D-Ethylgonendione is CCC12CCC3C(C1CCC2=O)CCC4=CC(=O)CCC34.

How many hydrogen bond donor counts does D-Ethylgonendione have?

D-Ethylgonendione has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does D-Ethylgonendione have?

D-Ethylgonendione has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of D-Ethylgonendione?

The topological polar surface area of D-Ethylgonendione is 34.1Ų.

How many defined atom stereocenter counts does D-Ethylgonendione have?

D-Ethylgonendione has 5 defined atom stereocenter counts.

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