Thebainehydroquinone dimer diAc
(43-acetyloxy-36,46-dihydroxy-14,18,21,25-tetramethoxy-8,33-dimethyl-16,23-dioxa-8,33-diazapentadecacyclo[19.13.6.64,18.15,11.128,34.01,30.02,20.03,19.04,9.05,17.022,30.024,29.035,40.015,48.042,47]octatetraconta-11(48),12,14,24,26,28,35,37,39,42,44,46-dodecaen-39-yl) acetate
Also Known As: Thebainehydroquinone dimer diAc|Thebainehydroquinone, diacetate (ester)|Thebainehydroquinine, dimer, diacetate (ester)|36,46-Dihydroxy-14,18,21,25-tetramethoxy-8,33-dimethyl-16,23-dioxa-8,33-diazapentadecacyclo[19.13.6.6~4,18~.1~5,11~.1~28,34~.0~1,30~.0~2,20~.0~3,19~.0~4,9~.0~5,17~.0~15,48~.0~22,30~.0~24,29~.0~35,40~.0~42,47~]octatetraconta-11(48),12,14,24,26,28,35,37,39,42,44,46-dodecaene-39,43-diyl diacetate
| Molecular Formula | C54H54N2O12 |
|---|---|
| Molecular Weight | 922.3677 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 922.3677 |
| Monoisotopic Mass | 922.3677 |
| Heavy Atoms | 68 |
| Complexity | 2040.0 |
Chemical Identifiers
| CAS Number | 7598-53-0 |
|---|---|
| SMILES | CC(=O)OC1=C2C(=C(C=C1)O)C34C5CC6=C7C3(CCN5C)C(C2(C8C4C9C8C1(C2C34C9(C(CC5=C3C(=C(C=C5)OC)O2)N(CC4)C)C2=C(C=CC(=C21)OC(=O)C)O)OC)OC)OC7=C(C=C6)OC |
| InChIKey | YRZWUZGUOHNUHU-UHFFFAOYSA-N |
Product Overview
Thebainehydroquinone dimer diAc (CAS 7598-53-0), with molecular formula C54H54N2O12 and molecular weight 922.3677 g/mol. IUPAC: (43-acetyloxy-36,46-dihydroxy-14,18,21,25-tetramethoxy-8,33-dimethyl-16,23-dioxa-8,33-diazapentadecacyclo[19.13.6.64,18.15,11.128,34.01,30.02,20.03,19.04,9.05,17.022,30.024,29.035,40.015,48.042,47]octatetraconta-11(48),12,14,24,26,28,35,37,39,42,44,46-dodecaen-39-yl) acetate.
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