Plumieride

methyl (1S,4aS,7R,7aS)-4'-[(1S)-1-hydroxyethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate

CAS: 511-89-7

Molecular Formula	`C21H26O12`
Molecular Weight	470.4 g/mol
LogP	-1.2
Topological Polar Surface Area	181.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	12
Rotatable Bonds	6
Exact Mass	470.14243
Heavy Atoms	33
Complexity	896.0

Chemical Identifiers

CAS Number	511-89-7
SMILES	`CC(C1=CC2(C=CC3C2C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)OC1=O)O`
InChIKey	`AOPMSFXOYJXDNJ-IRFSQMTFSA-N`

📖 Product Overview

Plumieride (CAS: 511-89-7) is a chemical compound with molecular formula C21H26O12 and molecular weight 470.4 g/mol. Its IUPAC systematic name is methyl (1S,4aS,7R,7aS)-4'-[(1S)-1-hydroxyethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate. LogP -1.2 Topological Polar Surface Area 181.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 12 Rotatable Bonds 6 Exact Mass 470.14243 Heavy Atoms 33 Complexity 896.0 InChI Key: AOPMSFXOYJXDNJ-IRFSQMTFSA-N. SMILES: CC(C1=CC2(C=CC3C2C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)OC1=O)O.

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