21,22-di-O-angeloyl-R(1)-barrigenol
TL;DR: 21,22-di-O-angeloyl-R(1)-barrigenol (CAS 92948-00-0) is a chemical compound with molecular formula C40H62O8 and molecular weight 670.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4R,4aR,5S,6R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,6,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (Z)-2-methylbut-2-enoate
Also Known As: 21,22-Darb, 21,22-Di-O-angeloyl-R(1)-barrigenol, [(3R,4R,4aR,5S,6R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,6,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (Z)-2-methylbut-2-enoate, Olean-12-ene-3,15,16,21,22,28-hexol, 3-azido-7,12-dihydroxy-N-(2-(2-(iodo-125I)-1H-imidazol-4-yl)ethyl)-, (3beta,15alpha,16alpha,21beta(Z),22alpha(Z))-
| Molecular Formula | C40H62O8 |
|---|---|
| Molecular Weight | 670.44 g/mol |
| LogP | 6.0587 |
| Topological Polar Surface Area | 133.52 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 670.44446 |
| Heavy Atoms | 48 |
| Complexity | 1407.1926 |
Chemical Identifiers
| CAS Number | 92948-00-0 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)O[C@H]1[C@@H](C(C[C@@H]2[C@]1([C@@H]([C@@H]([C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)O)O)CO)(C)C)OC(=O)/C(=C\C)/C |
Product Overview
21,22-di-O-angeloyl-R(1)-barrigenol (CAS 92948-00-0), with molecular formula C40H62O8 and molecular weight 670.44 g/mol. IUPAC: [(3R,4R,4aR,5S,6R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,6,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (Z)-2-methylbut-2-enoate.
Chemical Property Profile of 21,22-di-O-angeloyl-R(1)-barrigenol
Property Insights of 21,22-di-O-angeloyl-R(1)-barrigenol
The XLogP value of 6.0587 indicates that 21,22-di-O-angeloyl-R(1)-barrigenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 21,22-di-O-angeloyl-R(1)-barrigenol. Following Lipinski's Rule of Five, 21,22-di-O-angeloyl-R(1)-barrigenol has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 21,22-di-O-angeloyl-R(1)-barrigenol?
The CAS number of 21,22-di-O-angeloyl-R(1)-barrigenol is 92948-00-0.
What is the molecular formula of 21,22-di-O-angeloyl-R(1)-barrigenol?
The molecular formula of 21,22-di-O-angeloyl-R(1)-barrigenol is C40H62O8.
What is the molecular weight of 21,22-di-O-angeloyl-R(1)-barrigenol?
The molecular weight of 21,22-di-O-angeloyl-R(1)-barrigenol is 670.44 g/mol.
Where can I buy 21,22-di-O-angeloyl-R(1)-barrigenol?
You can request a quote for 21,22-di-O-angeloyl-R(1)-barrigenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21,22-di-O-angeloyl-R(1)-barrigenol?
Yes, KEHONG BIO provides custom synthesis services for 21,22-di-O-angeloyl-R(1)-barrigenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.