Serpentine (alkaloid)

methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate

CAS: 131-07-7

Molecular Formula	`C21H20N2O3`
Molecular Weight	348.4 g/mol
LogP	2.6
Topological Polar Surface Area	53.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	348.1474
Heavy Atoms	26
Complexity	606.0

Chemical Identifiers

CAS Number	131-07-7
SMILES	`CC1C2CN3C=CC4=C5C=CC=CC5=NC4=C3CC2C(=CO1)C(=O)OC`
InChIKey	`WYTGDNHDOZPMIW-VBNZEHGJSA-N`

📖 Product Overview

Serpentine (alkaloid) (CAS: 131-07-7) is a chemical compound with molecular formula C21H20N2O3 and molecular weight 348.4 g/mol. Its IUPAC systematic name is methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate. LogP 2.6 Topological Polar Surface Area 53.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 348.1474 Heavy Atoms 26 Complexity 606.0 InChI Key: WYTGDNHDOZPMIW-VBNZEHGJSA-N. SMILES: CC1C2CN3C=CC4=C5C=CC=CC5=NC4=C3CC2C(=CO1)C(=O)OC.

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