Lyngbyaloside B
TL;DR: Lyngbyaloside B (CAS 478938-98-6) is a chemical compound with molecular formula C30H49BrO10 and molecular weight 648.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,5R,7R,8R,11S,12R,13S)-5-[(3E,5E)-6-bromohexa-3,5-dienyl]-1,7-dihydroxy-13-[(2R,3R,4S,5S,6S)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy-5,8,12-trimethyl-4,15-dioxabicyclo[9.3.1]pentadecan-3-one
Also Known As: Lyngbyaloside B, Lyngbioloside B, J3.100.606F, (1S,5R,7R,8R,11S,12R,13S)-5-[(3E,5E)-6-bromohexa-3,5-dienyl]-1,7-dihydroxy-13-[(2R,3R,4S,5S,6S)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy-5,8,12-trimethyl-4,15-dioxabicyclo[9.3.1]pentadecan-3-one, (1S,4R,5R,7R,11S,13S,14R)-7-[(3E,5E)-6-bromohexa-3,5-dienyl]-5,11-dihydroxy-13-[(2R,3R,4S,5S,6S)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy-4,7,14-trimethyl-8,15-dioxabicyclo[9.3.1]pentadecan-9-one
| Molecular Formula | C30H49BrO10 |
|---|---|
| Molecular Weight | 648.25 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 648.2509 |
| Heavy Atoms | 41 |
| Complexity | 900.0 |
Chemical Identifiers
| CAS Number | 478938-98-6 |
|---|---|
| SMILES | C[C@@H]1CC[C@H]2[C@@H]([C@H](C[C@](O2)(CC(=O)O[C@](C[C@H]1O)(C)CC/C=C/C=C/Br)O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)OC)OC)O)C |
| InChIKey | IFLWJWSXKDLJIN-RHAGIDFESA-N |
Product Overview
Lyngbyaloside B (CAS 478938-98-6), with molecular formula C30H49BrO10 and molecular weight 648.25 g/mol. IUPAC: (1S,5R,7R,8R,11S,12R,13S)-5-[(3E,5E)-6-bromohexa-3,5-dienyl]-1,7-dihydroxy-13-[(2R,3R,4S,5S,6S)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy-5,8,12-trimethyl-4,15-dioxabicyclo[9.3.1]pentadecan-3-one.
Chemical Property Profile of Lyngbyaloside B
Property Insights of Lyngbyaloside B
The XLogP value of 3.3 indicates that Lyngbyaloside B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Lyngbyaloside B. Following Lipinski's Rule of Five, Lyngbyaloside B has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lyngbyaloside B?
The CAS number of Lyngbyaloside B is 478938-98-6.
What is the molecular formula of Lyngbyaloside B?
The molecular formula of Lyngbyaloside B is C30H49BrO10.
What is the molecular weight of Lyngbyaloside B?
The molecular weight of Lyngbyaloside B is 648.25 g/mol.
Where can I buy Lyngbyaloside B?
You can request a quote for Lyngbyaloside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lyngbyaloside B?
Yes, KEHONG BIO provides custom synthesis services for Lyngbyaloside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.