Hernandezine

(1S,14S)-9,19,20,21,25-pentamethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,31-dodecaene

CAS: 6681-13-6

Molecular Formula	`C39H44N2O7`
Molecular Weight	652.8 g/mol
LogP	6.4
Topological Polar Surface Area	71.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	9
Rotatable Bonds	5
Exact Mass	652.3149
Heavy Atoms	48
Complexity	1030.0

Chemical Identifiers

CAS Number	6681-13-6
SMILES	`CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)OC)OC`
InChIKey	`FUZMQNZACIFDBL-KYJUHHDHSA-N`

📖 Product Overview

Hernandezine (CAS: 6681-13-6) is a chemical compound with molecular formula C39H44N2O7 and molecular weight 652.8 g/mol. Its IUPAC systematic name is (1S,14S)-9,19,20,21,25-pentamethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,31-dodecaene. LogP 6.4 Topological Polar Surface Area 71.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 9 Rotatable Bonds 5 Exact Mass 652.3149 Heavy Atoms 48 Complexity 1030.0 InChI Key: FUZMQNZACIFDBL-KYJUHHDHSA-N. SMILES: CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)OC)OC.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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