Compound C21H27BrO4

[(8R,9S,13S,14S,16R,17R)-17-hydroxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] 2-bromoacetate

CAS: 57456-71-0

Molecular Formula	`C21H27BrO4`
Molecular Weight	423.3 g/mol
LogP	4.1
Topological Polar Surface Area	55.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	422.10928
Heavy Atoms	26
Complexity	540.0

Chemical Identifiers

CAS Number	57456-71-0
SMILES	`CC12CCC3C(C1CC(C2O)OC(=O)CBr)CCC4=C3C=CC(=C4)OC`
InChIKey	`WXFJKUDDKZJIRY-ORJOSYTKSA-N`

📖 Product Overview

Compound C21H27BrO4 (CAS: 57456-71-0) is a chemical compound with molecular formula C21H27BrO4 and molecular weight 423.3 g/mol. Its IUPAC systematic name is [(8R,9S,13S,14S,16R,17R)-17-hydroxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] 2-bromoacetate. LogP 4.1 Topological Polar Surface Area 55.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 422.10928 Heavy Atoms 26 Complexity 540.0 InChI Key: WXFJKUDDKZJIRY-ORJOSYTKSA-N. SMILES: CC12CCC3C(C1CC(C2O)OC(=O)CBr)CCC4=C3C=CC(=C4)OC.

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