ESTRIOL SUCCINATE

4-[[(8R,9S,13S,14S,16R,17R)-17-(3-carboxypropanoyloxy)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-oxobutanoic acid

CAS: 514-68-1

Molecular Formula	`C26H32O9`
Molecular Weight	488.5 g/mol
LogP	2.5
Topological Polar Surface Area	147.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	10
Exact Mass	488.20462
Heavy Atoms	35
Complexity	841.0

Chemical Identifiers

CAS Number	514-68-1
SMILES	`CC12CCC3C(C1CC(C2OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)CCC4=C3C=CC(=C4)O`
InChIKey	`VBRVDDFOBZNCPF-BRSFZVHSSA-N`

📖 Product Overview

ESTRIOL SUCCINATE (CAS: 514-68-1) is a chemical compound with molecular formula C26H32O9 and molecular weight 488.5 g/mol. Its IUPAC systematic name is 4-[[(8R,9S,13S,14S,16R,17R)-17-(3-carboxypropanoyloxy)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-oxobutanoic acid. LogP 2.5 Topological Polar Surface Area 147.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 9 Rotatable Bonds 10 Exact Mass 488.20462 Heavy Atoms 35 Complexity 841.0 InChI Key: VBRVDDFOBZNCPF-BRSFZVHSSA-N. SMILES: CC12CCC3C(C1CC(C2OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)CCC4=C3C=CC(=C4)O.

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