Cryptoporic Acid E
TL;DR: Cryptoporic Acid E (CAS 120001-10-7) is a chemical compound with molecular formula C45H68O15 and molecular weight 848.4558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-4-[[(1S,4aR,5R,8aS)-5-[[(2S,3R)-3-[[(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-2-(carboxymethyl)-4-methoxy-4-oxobutanoyl]oxymethyl]-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-5-methoxy-3-methoxycarbonyl-5-oxopentanoic acid
Also Known As: Cryptoporic acid E, (3S,4R)-4-[[(1S,4aR,5R,8aS)-5-[[(2S,3R)-3-[[(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-2-(carboxymethyl)-4-methoxy-4-oxobutanoyl]oxymethyl]-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-5-methoxy-3-methoxycarbonyl-5-oxopentanoic acid, (1R,2S)-1-[[(1S,4aR)-2-Methylene-5alpha-[[[(3R,2S)-3-[[(1S,4aR)-2-methylene-5alpha-(hydroxymethyl)-5,8abeta-dimethyldecahydronaphthalene-1beta-yl]methoxy]-3-(methoxycarbonyl)-2-(carboxymethyl)propionyl]oxy]methyl]-5,8abeta-dimethyldecahydronaphthalene-1beta-yl]methoxy]-1,2,3-propanetricarboxylic acid 1,2-dimethyl ester, (3S)-4-(((1S,4aR,5R,8aS)-5-((3-(((1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy)-2-(carboxymethyl)-4-methoxy-4-oxobutanoyl)oxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy)-5-methoxy-3-methoxycarbonyl-5-oxopentanoic acid, (3S,4R)-3-((((1R,4aS,5S,8aR)-5-((((2R,3S)-3-(carboxymethyl)-1,4-dimethoxy-1,4-dioxobutan-2-yl)oxy)methyl)-1,4a-dimethyl-6-methylenedecahydronaphthalen-1-yl)methoxy)carbonyl)-4-(((1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)methoxy)-5-methoxy-5-oxopentanoic acid
Technical Specifications
| Molecular Formula | C45H68O15 |
| Molecular Weight | 848.4558 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 218.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 23 |
| Exact Mass | 848.4558 Da |
| Heavy Atoms | 60 |
| Complexity | 1640.0 |
| SMILES | C[C@]1(CCC[C@]2([C@H]1CCC(=C)[C@@H]2CO[C@H]([C@H](CC(=O)O)C(=O)OC[C@@]3(CCC[C@]4([C@H]3CCC(=C)[C@@H]4CO[C@H]([C@H](CC(=O)O)C(=O)OC)C(=O)OC)C)C)C(=O)OC)C)CO |
| InChIKey | PCFMECNNYYMDRS-VTRNTCPLSA-N |
Chemical Property Profile of Cryptoporic Acid E
Property Insights of Cryptoporic Acid E
The XLogP value of 5.6 indicates that Cryptoporic Acid E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 218.0 Ų indicates high polarity, suggesting Cryptoporic Acid E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cryptoporic Acid E has 3 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cryptoporic Acid E?
The CAS number of Cryptoporic Acid E is 120001-10-7.
What is the molecular formula of Cryptoporic Acid E?
The molecular formula of Cryptoporic Acid E is C45H68O15.
What is the molecular weight of Cryptoporic Acid E?
The molecular weight of Cryptoporic Acid E is 848.4558 g/mol.
Where can I buy Cryptoporic Acid E?
You can request a quote for Cryptoporic Acid E directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cryptoporic Acid E?
Yes, CoreyChem provides custom synthesis services for Cryptoporic Acid E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.