Bazzanin O
(20Z)-4,6,17,23,26-pentachloro-13-methoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(25),2,4,6,10(28),11,13,15,17,19(27),20,22(26),23-tridecaene-5,16,24-triol
Also Known As: Bazzanin O|10,12,6',10'14'-Pentachloroisoplagiochin C|J1.969.087C|(20Z)-4,6,17,23,26-pentachloro-13-methoxypentacyclo[20.2.2.1~10,14~.1~15,19~.0~2,7~]octacosa-1(24),2,4,6,10(28),11,13,15(27),16,18,20,22,25-tridecaene-5,16,24-triol (non-preferred name)|8H-7,14c-methanocyclohepta[3',4']benz[1',2':2,3]azuleno[6,5-c][1,2]dioxole-3,8(4H)-dione, 15-(acetyloxy)-1,2,5,7,7a,9,10,10a,13,14b-decahydro-10a-hydroxy-1,6,9,13,13,14b-hexamethyl-4-(1-methylethyl)-,|(20Z)-4,6,17,23,26-pentachloro-13-methoxypentacyclo(20.2.2.1~10,14~.1~15,19~.0~2,7~)octacosa-1(24),2,4,6,10(28),11,13,15(27),16,18,20,22,25-tridecaene-5,16,24-triol (non-preferred name)|(20Z)-4,6,17,23,26-pentachloro-13-methoxypentacyclo(20.2.2.110,14.115,19.02,7)octacosa-1(25),2,4,6,10(28),11,13,15,17,19(27),20,22(26),23-tridecaene-5,16,24-triol|(20Z)-4,6,17,23,26-pentachloro-13-methoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(25),2,4,6,10(28),11,13,15,17,19(27),20,22(26),23-tridecaene-5,16,24-triol|4,6,17,23,26-pentachloro-13-methoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(25),2,4,6,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,16,24-triol|4,6,17,23,26-Pentachloro-13-methoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosane-1(25),2,4,6,10,12,14(28),15,17,19(27),20,22(26),23-tridecene-5,16,24-triol|8H-7,14c-methanocyclohepta(3',4')benz(1',2':2,3)azuleno(6,5-c)(1,2)dioxole-3,8(4H)-dione, 15-(acetyloxy)-1,2,5,7,7a,9,10,10a,13,14b-decahydro-10a-hydroxy-1,6,9,13,13,14b-hexamethyl-4-(1-methylethyl)-,
| Molecular Formula | C29H19Cl5O4 |
|---|---|
| Molecular Weight | 605.9726 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 605.9726 |
| Monoisotopic Mass | 605.9726 |
| Heavy Atoms | 38 |
| Complexity | 833.0 |
Chemical Identifiers
| CAS Number | 630106-18-2 |
|---|---|
| SMILES | COC1=C2C=C(CCC3=C(C(=C(C=C3C4=CC(=C(/C=C\C5=CC2=C(C(=C5)Cl)O)C(=C4O)Cl)Cl)Cl)O)Cl)C=C1 |
| InChIKey | ASWYDFIYBFEIEB-UTCJRWHESA-N |
Product Overview
Bazzanin O (CAS 630106-18-2), with molecular formula C29H19Cl5O4 and molecular weight 605.9726 g/mol. IUPAC: (20Z)-4,6,17,23,26-pentachloro-13-methoxypentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(25),2,4,6,10(28),11,13,15,17,19(27),20,22(26),23-tridecaene-5,16,24-triol.
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