Estradiol diundecanoate

[(8R,9S,13S,14S,17S)-13-methyl-3-undecanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate

CAS: 1263-57-6

Molecular Formula	`C40H64O4`
Molecular Weight	608.9 g/mol
LogP	12.6
Topological Polar Surface Area	52.6 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	22
Exact Mass	608.48047
Heavy Atoms	44
Complexity	839.0

Chemical Identifiers

CAS Number	1263-57-6
SMILES	`CCCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=O)CCCCCCCCCC)C`
InChIKey	`PWQIMJUJIMPDSQ-OBRFQGJBSA-N`

📖 Product Overview

Estradiol diundecanoate (CAS: 1263-57-6) is a chemical compound with molecular formula C40H64O4 and molecular weight 608.9 g/mol. Its IUPAC systematic name is [(8R,9S,13S,14S,17S)-13-methyl-3-undecanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate. LogP 12.6 Topological Polar Surface Area 52.6 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 22 Exact Mass 608.48047 Heavy Atoms 44 Complexity 839.0 InChI Key: PWQIMJUJIMPDSQ-OBRFQGJBSA-N. SMILES: CCCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=O)CCCCCCCCCC)C.

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