Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
11,17,21-Trihydroxypregn-4-ene-3,20-dione	8063-42-1	3640

Structure

Other Information

Canonical SMILES	CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O
Iso SMILES	CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O
InChI	InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3
InChI Key	JYGXADMDTFJGBT-UHFFFAOYSA-N
Formula	C21H30O5
Mol Weight	362.46
XlogP3	1.6
Charge	0

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Synonyms Information

CAS Name	11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name	11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Openeye Name	11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Systematic Name	10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Tratitional Name	10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one