3beta-Isodihydrocadambine
methyl (1R,14R,15S,16S,20S)-14-(hydroxymethyl)-16-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
Also Known As: 3beta-Isodihydrocadambine|3|A-Isodihydrocadambine|3??-Isodihydrocadambine|3-Beta-isodihydrocadambine|NP0735|TN6107|J1.852.946G|methyl (1R,14R,15S,16S,20S)-14-(hydroxymethyl)-16-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate|5h-thieno[2,3-c]pyran-3-carboxamide, 4,7-dihydro-5,5-dimethyl-2-[[(phenylamino)carbonyl]amino]-|Methyl 19-(hexopyranosyloxy)-21-(hydroxymethyl)-16,17-didehydro-18-oxayohimban-16-carboxylate|(3R,20S)-19alpha-(beta-D-Glucopyranosyloxy)-21beta-(hydroxymethyl)-16,17-didehydro-18-oxayohimban-16-carboxylic acid methyl ester|methyl (1R,14R,15S,16S,20S)-14-(hydroxymethyl)-16-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-17-oxa-3,13-diazapentacyclo(11.8.0.02,10.04,9.015,20)henicosa-2(10),4,6,8,18-pentaene-19-carboxylate|methyl (1R,14R,15S,16S,20S)-14-(hydroxymethyl)-16-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate|Methyl 19alpha-(beta-D-glucopyranosyloxy)-21beta-(hydroxymethyl)-3beta,20alpha-16,17-didehydro-18-oxayohimban-16-carboxylate|methyl(3|A,19|A,20|A,21|A)-19-(|A-d-glucopyranosyloxy)-21-(hydroxymethyl)-16,17-didehydro-18-oxayohimban-16-carboxylate
| Molecular Formula | C27H34N2O10 |
|---|---|
| Molecular Weight | 546.2214 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 546.2214 |
| Monoisotopic Mass | 546.2214 |
| Heavy Atoms | 39 |
| Complexity | 936.0 |
Chemical Identifiers
| CAS Number | 6687-76-9 |
|---|---|
| SMILES | COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C[C@@H]3C4=C(CCN3[C@H]2CO)C5=CC=CC=C5N4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O |
| InChIKey | FCECVXQMCZMWDG-QLIJHQAKSA-N |
Product Overview
3beta-Isodihydrocadambine (CAS 6687-76-9), with molecular formula C27H34N2O10 and molecular weight 546.2214 g/mol. IUPAC: methyl (1R,14R,15S,16S,20S)-14-(hydroxymethyl)-16-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate.
3beta-Isodihydrocadambine is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »