Regelindiol A
TL;DR: Regelindiol A (CAS 121880-08-8) is a chemical compound with molecular formula C31H50O4 and molecular weight 486.3709 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1R,2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-4,10-dihydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-2-carboxylate
Also Known As: Regelindiol A, Methyl 3,22-dihydroxyurs-12-ene-30-oate, Methyl 3,22-dihydroxyurs-12-en-30-oate, methyl (1R,2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-4,10-dihydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-2-carboxylate, Urs-12-en-30-oic acid, 3,22-dihydroxy-, methyl ester, (3beta,22alpha)-
Technical Specifications
| Molecular Formula | C31H50O4 |
| Molecular Weight | 486.3709 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 486.3709 Da |
| Heavy Atoms | 35 |
| Complexity | 923.0 |
| SMILES | C[C@H]1[C@@H](C[C@@H]([C@]2([C@H]1C3=CC[C@@H]4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C)O)C(=O)OC |
| InChIKey | PQBJUPQYHXRZJY-XCAOBBIWSA-N |
Chemical Property Profile of Regelindiol A
Property Insights of Regelindiol A
The XLogP value of 6.5 indicates that Regelindiol A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Regelindiol A. Following Lipinski's Rule of Five, Regelindiol A has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Regelindiol A?
The CAS number of Regelindiol A is 121880-08-8.
What is the molecular formula of Regelindiol A?
The molecular formula of Regelindiol A is C31H50O4.
What is the molecular weight of Regelindiol A?
The molecular weight of Regelindiol A is 486.3709 g/mol.
Where can I buy Regelindiol A?
You can request a quote for Regelindiol A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Regelindiol A?
Yes, CoreyChem provides custom synthesis services for Regelindiol A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.