Reichstein's substance E structure

Reichstein's substance E

17-(1,2-dihydroxyethyl)-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Also Known As: 20-Hydroxycortisol|20|A-Dihydrocortisol|Reichstein's substance E|NCIOpen2_009098|5,5,5-TRIFLUORO-4-OXOPENTANOICACID|17-(1,2-dihydroxy-ethyl)-11,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one|17-(1,2-dihydroxyethyl)-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one|4-PREGNEN-11-BETA, 17,20-BETA, 21-TETROL-3-ONE;4-PREGNEN-11BETA,17ALPHA,20BETA,21-TETROL-3-ONE;20-BETA-DIHYDROCORTISOL;REICHSTEIN'S COMPOUND ''E'';REICHSTEIN'S SUBSTANCE 'E';11-beta,17-alpha-20-beta,21-tetrahydroxypregn-4-en-3-one;4-pregnene-11B,17A,20B,

CAS: 116-58-5
Molecular Formula C21H32O5
Molecular Weight 364.22498 g/mol
LogP 0.8
Topological Polar Surface Area 98.0 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
Rotatable Bonds 2
Exact Mass 364.22498
Monoisotopic Mass 364.22498
Heavy Atoms 26
Complexity 644.0

Chemical Identifiers

CAS Number 116-58-5
SMILES CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(CO)O)O)C)O
InChIKey AWWCEQOCFFQUKS-UHFFFAOYSA-N

Product Overview

Reichstein's substance E (CAS 116-58-5), with molecular formula C21H32O5 and molecular weight 364.22498 g/mol. IUPAC: 17-(1,2-dihydroxyethyl)-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.

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