3-(己糖吡喃糖基氧)齐墩果-12-烯-28-酸
TL;DR: 3-(己糖吡喃糖基氧)齐墩果-12-烯-28-酸 (CAS 38624-62-3) is a chemical compound with molecular formula C36H58O8 and molecular weight 618.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(己糖吡喃糖基氧)齐墩果-12-烯-28-酸
(4aS,6aR,6aS,6bR,10S,12aR,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Hederoside A2, Vitalboside A, beta1-Fatsin, Oleanolic acid 3-O-glucoside, KST-1A4433
| Molecular Formula | C36H58O8 |
|---|---|
| Molecular Weight | 618.41 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 618.41315 |
| Heavy Atoms | 44 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 38624-62-3 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O |
| InChIKey | ZNFRITHWVZXJRK-SZUUDGAKSA-N |
Product Overview
3-(己糖吡喃糖基氧)齐墩果-12-烯-28-酸 (CAS 38624-62-3), with molecular formula C36H58O8 and molecular weight 618.41 g/mol. IUPAC: (4aS,6aR,6aS,6bR,10S,12aR,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of 3-(己糖吡喃糖基氧)齐墩果-12-烯-28-酸
Property Insights of 3-(己糖吡喃糖基氧)齐墩果-12-烯-28-酸
The XLogP value of 5.9 indicates that 3-(己糖吡喃糖基氧)齐墩果-12-烯-28-酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(己糖吡喃糖基氧)齐墩果-12-烯-28-酸. Following Lipinski's Rule of Five, 3-(己糖吡喃糖基氧)齐墩果-12-烯-28-酸 has 5 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 3-(己糖吡喃糖基氧)齐墩果-12-烯-28-酸?
The CAS number of 3-(己糖吡喃糖基氧)齐墩果-12-烯-28-酸 is 38624-62-3.
What is the molecular formula of 3-(己糖吡喃糖基氧)齐墩果-12-烯-28-酸?
The molecular formula of 3-(己糖吡喃糖基氧)齐墩果-12-烯-28-酸 is C36H58O8.
What is the molecular weight of 3-(己糖吡喃糖基氧)齐墩果-12-烯-28-酸?
The molecular weight of 3-(己糖吡喃糖基氧)齐墩果-12-烯-28-酸 is 618.41 g/mol.
Where can I buy 3-(己糖吡喃糖基氧)齐墩果-12-烯-28-酸?
You can request a quote for 3-(己糖吡喃糖基氧)齐墩果-12-烯-28-酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(己糖吡喃糖基氧)齐墩果-12-烯-28-酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(己糖吡喃糖基氧)齐墩果-12-烯-28-酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.