3,17-Diacetoxyestra-1,3,5(10)-trien-2-carboxylic acid

(8R,9S,13S,14S)-3,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2-carboxylic acid

Also Known As: DETCA|3,17-Diacetoxyestra-1,3,5(10)-trien-2-carboxylic acid|3,17-Diacetoxyestra-1,3,5 -trien-2-carboxylicacid|3,17beta-Diacetoxyestra-1,3,5(10)-trien-2-carboxylic acid|(8R,9S,13S,14S)-3,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2-carboxylic acid|3,17-bis(acetyloxy)estra-1(10),2,4-triene-2-carboxylic acid|3,17|A-diacetoxyestra-1,3,5(10)-trien-2-carboxyclic acid|Estra-1,3,5(10)-triene-2-carboxylic acid, 3,17-bis(acetyloxy)-, (17beta)-|(8R,9S,13S,14S,17S)-3,17-Diacetoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-2-carboxylic acid

Molecular Formula	C23H28O6
Molecular Weight	400.1886 g/mol
LogP	4.1
Topological Polar Surface Area	89.9 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	400.1886
Monoisotopic Mass	400.1886
Heavy Atoms	29
Complexity	689.0

Chemical Identifiers

CAS Number	6563-87-7
SMILES	CC(=O)OC1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=C(C=C34)C(=O)O)OC(=O)C)C
InChIKey	AJVPDNOSAQOXAN-BBHHNLEESA-N