protoveratrine A

[(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16S,17R,18R,19S,22S,23S,25R)-16,17-diacetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-[(2R)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S)-2-hydroxy-2-methylbutanoate

CAS: 143-57-7

Molecular Formula	`C41H63NO14`
Molecular Weight	793.9 g/mol
LogP	2.1
Topological Polar Surface Area	219.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	15
Rotatable Bonds	12
Exact Mass	793.42487
Heavy Atoms	56
Complexity	1630.0

Chemical Identifiers

CAS Number	143-57-7
SMILES	`CCC(C)C(=O)OC1C(C2C(CN3CC(CCC3C2(C)O)C)C4C1(C5C(C(C6C7(C5(C4)OC6(C(CC7)OC(=O)C(C)(CC)O)O)C)OC(=O)C)OC(=O)C)O)O`
InChIKey	`HYTGGNIMZXFORS-MGYKWWNKSA-N`

📖 Product Overview

protoveratrine A (CAS: 143-57-7) is a chemical compound with molecular formula C41H63NO14 and molecular weight 793.9 g/mol. Its IUPAC systematic name is [(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16S,17R,18R,19S,22S,23S,25R)-16,17-diacetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-[(2R)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S)-2-hydroxy-2-methylbutanoate. LogP 2.1 Topological Polar Surface Area 219.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 15 Rotatable Bonds 12 Exact Mass 793.42487 Heavy Atoms 56 Complexity 1630.0 InChI Key: HYTGGNIMZXFORS-MGYKWWNKSA-N. SMILES: CCC(C)C(=O)OC1C(C2C(CN3CC(CCC3C2(C)O)C)C4C1(C5C(C(C6C7(C5(C4)OC6(C(CC7)OC(=O)C(C)(CC)O)O)C)OC(=O)C)OC(=O)C)O)O.

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