Nymania 1
TL;DR: Nymania 1 (CAS 84765-63-9) is a chemical compound with molecular formula C36H48O15 and molecular weight 720.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,4R,5R,6R,7aS)-6-[(1S,2R,3R,4S,6S)-4-acetyloxy-6-hydroxy-2-(2-methoxy-2-oxoethyl)-1,3-dimethyl-7,9-dioxabicyclo[4.2.1]nonan-3-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] (2R,3R)-2-hydroxy-3-methylpentanoate
Also Known As: Nymania 1, Drageana 4, 7,9-Dioxabicyclo(4.2.1)nonane-2-acetic acid, 4-(acetyloxy)-3-(6-(formyloxy)-1-(3-furanyl)octahydro-3a-hydroxy-7-((2-hydroxy-3-methyl-1-oxopentyl)oxy)-7a-methyl-4-methylene-3-oxo-1H-inden-5-yl)-6-hydroxy-1,3-dimethyl-, methyl ester, (1S-(1alpha,3abeta,5beta(1R*,2S*,3S*,4R*,6R*),6beta,7alpha(2S*,3S*),7aalpha))-, ((3S,3aR,4R,5R,6R,7aS)-6-((1S,2R,3R,4S,6S)-4-acetyloxy-6-hydroxy-2-(2-methoxy-2-oxoethyl)-1,3-dimethyl-7,9-dioxabicyclo(4.2.1)nonan-3-yl)-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl) (2R,3R)-2-hydroxy-3-methylpentanoate, [(3S,3aR,4R,5R,6R,7aS)-6-[(1S,2R,3R,4S,6S)-4-acetyloxy-6-hydroxy-2-(2-methoxy-2-oxoethyl)-1,3-dimethyl-7,9-dioxabicyclo[4.2.1]nonan-3-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] (2R,3R)-2-hydroxy-3-methylpentanoate
| Molecular Formula | C36H48O15 |
|---|---|
| Molecular Weight | 720.30 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 14 |
| Exact Mass | 720.2993 |
| Heavy Atoms | 51 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 84765-63-9 |
|---|---|
| SMILES | CC[C@@H](C)[C@H](C(=O)O[C@H]1[C@@H]([C@@H](C(=C)[C@@]2([C@@]1([C@@H](CC2=O)C3=COC=C3)C)O)[C@]4([C@H](C[C@@]5(OC[C@]([C@@H]4CC(=O)OC)(O5)C)O)OC(=O)C)C)OC=O)O |
| InChIKey | RUXXAXGHFLRXRB-DRISLEFDSA-N |
Product Overview
Nymania 1 (CAS 84765-63-9), with molecular formula C36H48O15 and molecular weight 720.30 g/mol. IUPAC: [(3S,3aR,4R,5R,6R,7aS)-6-[(1S,2R,3R,4S,6S)-4-acetyloxy-6-hydroxy-2-(2-methoxy-2-oxoethyl)-1,3-dimethyl-7,9-dioxabicyclo[4.2.1]nonan-3-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] (2R,3R)-2-hydroxy-3-methylpentanoate.
Chemical Property Profile of Nymania 1
Property Insights of Nymania 1
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nymania 1. The TPSA of 215.0 Ų indicates high polarity, suggesting Nymania 1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nymania 1 has 3 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nymania 1?
The CAS number of Nymania 1 is 84765-63-9.
What is the molecular formula of Nymania 1?
The molecular formula of Nymania 1 is C36H48O15.
What is the molecular weight of Nymania 1?
The molecular weight of Nymania 1 is 720.30 g/mol.
Where can I buy Nymania 1?
You can request a quote for Nymania 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nymania 1?
Yes, KEHONG BIO provides custom synthesis services for Nymania 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.