Compound C35H49IO3

(7R,8R,9S,13S,14S,17S)-7-[11-(4-(125I)iodophenoxy)undecyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

CAS: 132054-36-5

Molecular Formula	`C35H49IO3`
Molecular Weight	642.7 g/mol
LogP	11.1
Topological Polar Surface Area	49.7 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	13
Exact Mass	642.2728
Heavy Atoms	39
Complexity	723.0

Chemical Identifiers

CAS Number	132054-36-5
SMILES	`CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCCCOC5=CC=C(C=C5)I`
InChIKey	`PUATYBXLOTXELQ-ZBOICZJLSA-N`

📖 Product Overview

Compound C35H49IO3 (CAS: 132054-36-5) is a chemical compound with molecular formula C35H49IO3 and molecular weight 642.7 g/mol. Its IUPAC systematic name is (7R,8R,9S,13S,14S,17S)-7-[11-(4-(125I)iodophenoxy)undecyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol. LogP 11.1 Topological Polar Surface Area 49.7 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 13 Exact Mass 642.2728 Heavy Atoms 39 Complexity 723.0 InChI Key: PUATYBXLOTXELQ-ZBOICZJLSA-N. SMILES: CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCCCOC5=CC=C(C=C5)I.

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