(+)-Hippocaesculin
TL;DR: (+)-Hippocaesculin (CAS 105661-18-5) is a chemical compound with molecular formula C40H62O8 and molecular weight 670.44446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4-[(3R,4aR,5S,6R,6aR,6aS,6bR,12aR,14bR)-3,4,5,6,10-pentahydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-3-(3-methylbut-2-enyl)-1,5,6,6a,7,8,8a,12,13,14b-decahydropicen-4-yl]-2-methylbut-2-enoic acid
Also Known As: hippocaesculin, (+)-Hippocaesculin, (E)-4-[(3R,4aR,5S,6R,6aR,6aS,6bR,12aR,14bR)-3,4,5,6,10-pentahydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-3-(3-methylbut-2-enyl)-1,5,6,6a,7,8,8a,12,13,14b-decahydropicen-4-yl]-2-methylbut-2-enoic acid, Olean-12-ene-3,15,16,21,22,28-hexol, 21,22-bis(2-methyl-2-butenoate), (3beta15alpha,16alpha,21beta,22alpha)-
Technical Specifications
| Molecular Formula | C40H62O8 |
| Molecular Weight | 670.44446 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 159.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 670.44446 Da |
| Heavy Atoms | 48 |
| Complexity | 1470.0 |
| SMILES | CC(=CC[C@]1(C(C[C@@H]2C3=CC[C@H]4[C@]([C@@]3([C@H]([C@H]([C@]2(C1(C/C=C(\C)/C(=O)O)O)CO)O)O)C)(CCC5[C@@]4(CC=C(C5(C)C)O)C)C)(C)C)O)C |
| InChIKey | IHWKCPUDXAKERM-HTNOYMQZSA-N |
Chemical Property Profile of (+)-Hippocaesculin
Property Insights of (+)-Hippocaesculin
The XLogP value of 6.2 indicates that (+)-Hippocaesculin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting (+)-Hippocaesculin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (+)-Hippocaesculin has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (+)-Hippocaesculin?
The CAS number of (+)-Hippocaesculin is 105661-18-5.
What is the molecular formula of (+)-Hippocaesculin?
The molecular formula of (+)-Hippocaesculin is C40H62O8.
What is the molecular weight of (+)-Hippocaesculin?
The molecular weight of (+)-Hippocaesculin is 670.44446 g/mol.
Where can I buy (+)-Hippocaesculin?
You can request a quote for (+)-Hippocaesculin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (+)-Hippocaesculin?
Yes, CoreyChem provides custom synthesis services for (+)-Hippocaesculin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.