Neodulin
(1R,13R)-7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-2(10),3,5,8,14,16(20),21-heptaene
Also Known As: Neodulin|Edulin|Edulen|(l)-Neodulin|(-)-Neodulin|Butyl 2-chloroacrylate|VZDPNKZCXYBWLM-SGTLLEGYSA-|(6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[5,6]benzofuro[3,2-c]furo[3,2-g][1]benzopyran|6H-(1,3)Dioxolo(5,6)benzofuro(3,2-c)furo(3,2-g)(1)benzopyran, 6a,12a-dihydro-, (-)-|(1R,13R)-7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-2(10),3,5,8,14(22),15,20-heptaene|(6aR,12aR)-6a,12a-Dihydro-6H,9H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]furo[3,2-g][1]benzopyran|[6aR,12aR,(-)]-6a,12a-Dihydro-6H-[1,3]dioxolo[5,6]benzofuro[3,2-c]furo[3,2-g][1]benzopyran|6H-(1,3)Dioxolo(5,6)benzofuro(3,2-c)furo(3,2-g)(1)benzopyran, 6a,12a-dihydro-, (6aR-cis)-|7,11,17,19,23-pentaoxahexacyclo(11.10.0.02,10.04,8.014,22.016,20)tricosa-2(10),3,5,8,14,16(20),21-heptaene
| Molecular Formula | C18H12O5 |
|---|---|
| Molecular Weight | 308.06848 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 308.06848 |
| Monoisotopic Mass | 308.06848 |
| Heavy Atoms | 23 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 238-67-5 |
|---|---|
| SMILES | C1[C@@H]2[C@H](C3=C(O1)C=C4C(=C3)C=CO4)OC5=CC6=C(C=C25)OCO6 |
| InChIKey | VZDPNKZCXYBWLM-SGTLLEGYSA-N |
Product Overview
Neodulin (CAS 238-67-5), with molecular formula C18H12O5 and molecular weight 308.06848 g/mol. IUPAC: (1R,13R)-7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-2(10),3,5,8,14,16(20),21-heptaene.
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