Vat Green 1

30,34-dimethoxynonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6,8,10,14,17(31),18,20(32),22,24,26,28-hexadecaene-12,21-dione

CAS: 113255-70-2

Molecular Formula	`C36H20O4`
Molecular Weight	516.5 g/mol
LogP	8.0
Topological Polar Surface Area	52.6 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	516.13617
Heavy Atoms	40
Complexity	971.0

Chemical Identifiers

CAS Number	113255-70-2
SMILES	`COC1=C2C3=C(C=CC4=C3C(=C1)C5=CC=CC=C5C4=O)C6=C7C2=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)OC`
InChIKey	`JXUKQCUPTNLTCS-UHFFFAOYSA-N`

📖 Product Overview

Vat Green 1 (CAS: 113255-70-2) is a chemical compound with molecular formula C36H20O4 and molecular weight 516.5 g/mol. Its IUPAC systematic name is 30,34-dimethoxynonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6,8,10,14,17(31),18,20(32),22,24,26,28-hexadecaene-12,21-dione. LogP 8.0 Topological Polar Surface Area 52.6 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 516.13617 Heavy Atoms 40 Complexity 971.0 InChI Key: JXUKQCUPTNLTCS-UHFFFAOYSA-N. SMILES: COC1=C2C3=C(C=CC4=C3C(=C1)C5=CC=CC=C5C4=O)C6=C7C2=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)OC.

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