Regelindiol B
TL;DR: Regelindiol B (CAS 84104-83-6) is a chemical compound with molecular formula C31H50O4 and molecular weight 486.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate
Also Known As: Regelindiol B, Methyl 3,22-dihydroxyolean-12-ene-29-oate, Methyl 3,22-dihydroxyolean-12-en-29-oate, methyl (2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate, Methyl (5xi)-3beta,22alpha-dihydroxy-18alpha-olean-12-en-30-oate
| Molecular Formula | C31H50O4 |
|---|---|
| Molecular Weight | 486.37 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 486.3709 |
| Heavy Atoms | 35 |
| Complexity | 938.0 |
Chemical Identifiers
| CAS Number | 84104-83-6 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4C[C@@](C[C@@H]5O)(C)C(=O)OC)C)C)C)(C)C)O |
| InChIKey | DNAMZLPKKDEZFD-AQERJKPSSA-N |
Product Overview
Regelindiol B (CAS 84104-83-6), with molecular formula C31H50O4 and molecular weight 486.37 g/mol. IUPAC: methyl (2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate.
Chemical Property Profile of Regelindiol B
Property Insights of Regelindiol B
The XLogP value of 6.5 indicates that Regelindiol B 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 B. Following Lipinski's Rule of Five, Regelindiol B has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Regelindiol B?
The CAS number of Regelindiol B is 84104-83-6.
What is the molecular formula of Regelindiol B?
The molecular formula of Regelindiol B is C31H50O4.
What is the molecular weight of Regelindiol B?
The molecular weight of Regelindiol B is 486.37 g/mol.
Where can I buy Regelindiol B?
You can request a quote for Regelindiol B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Regelindiol B?
Yes, KEHONG BIO provides custom synthesis services for Regelindiol B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.