Estradiol 17-dihydrotrigonelline

[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 1-methyl-4H-pyridine-3-carboxylate

CAS: 103562-82-9

Molecular Formula	`C25H31NO3`
Molecular Weight	393.5 g/mol
LogP	5.4
Topological Polar Surface Area	49.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	393.2304
Heavy Atoms	29
Complexity	715.0

Chemical Identifiers

CAS Number	103562-82-9
SMILES	`CC12CCC3C(C1CCC2OC(=O)C4=CN(C=CC4)C)CCC5=C3C=CC(=C5)O`
InChIKey	`KTMLJZFJHDUEAU-BZDYCCQFSA-N`

📖 Product Overview

Estradiol 17-dihydrotrigonelline (CAS: 103562-82-9) is a chemical compound with molecular formula C25H31NO3 and molecular weight 393.5 g/mol. Its IUPAC systematic name is [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 1-methyl-4H-pyridine-3-carboxylate. LogP 5.4 Topological Polar Surface Area 49.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 393.2304 Heavy Atoms 29 Complexity 715.0 InChI Key: KTMLJZFJHDUEAU-BZDYCCQFSA-N. SMILES: CC12CCC3C(C1CCC2OC(=O)C4=CN(C=CC4)C)CCC5=C3C=CC(=C5)O.

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