(3beta)-3-(alpha-L-Arabinopyranosyloxy)ursa-12,18-dien-28-oic acid
TL;DR: (3beta)-3-(alpha-L-Arabinopyranosyloxy)ursa-12,18-dien-28-oic acid (CAS 356785-74-5) is a chemical compound with molecular formula C35H54O7 and molecular weight 586.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4aS,6aR,6aS,6bR,8aR,10S,12aR)-1,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-4a-carboxylic acid
Also Known As: J1.613.978E, 3beta-(alpha-L-Arabinopyranosyloxy)urs-12,18-diene-28-oic acid, 3beta-(alpha-L-Arabinopyranosyloxy)ursa-12,18-dien-28-oic acid, 3beta-[(alpha-L-Arabinopyranosyl)oxy]urs-12,18-dien-28-oic acid, (3beta)-3-(alpha-L-arabinopyranosyloxy)ursa-12,18-dien-28-oic acid
| Molecular Formula | C35H54O7 |
|---|---|
| Molecular Weight | 586.39 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 586.38696 |
| Heavy Atoms | 42 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 356785-74-5 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O)C)C)C2=C1C)C)C(=O)O |
| InChIKey | GCGPCEUHJCFZIV-GOLIOZFDSA-N |
Product Overview
(3beta)-3-(alpha-L-Arabinopyranosyloxy)ursa-12,18-dien-28-oic acid (CAS 356785-74-5), with molecular formula C35H54O7 and molecular weight 586.39 g/mol. IUPAC: (2R,4aS,6aR,6aS,6bR,8aR,10S,12aR)-1,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-4a-carboxylic acid.
Chemical Property Profile of (3beta)-3-(alpha-L-Arabinopyranosyloxy)ursa-12,18-dien-28-oic acid
Property Insights of (3beta)-3-(alpha-L-Arabinopyranosyloxy)ursa-12,18-dien-28-oic acid
The XLogP value of 5.0 indicates that (3beta)-3-(alpha-L-Arabinopyranosyloxy)ursa-12,18-dien-28-oic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3beta)-3-(alpha-L-Arabinopyranosyloxy)ursa-12,18-dien-28-oic acid. Following Lipinski's Rule of Five, (3beta)-3-(alpha-L-Arabinopyranosyloxy)ursa-12,18-dien-28-oic acid has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3beta)-3-(alpha-L-Arabinopyranosyloxy)ursa-12,18-dien-28-oic acid?
The CAS number of (3beta)-3-(alpha-L-Arabinopyranosyloxy)ursa-12,18-dien-28-oic acid is 356785-74-5.
What is the molecular formula of (3beta)-3-(alpha-L-Arabinopyranosyloxy)ursa-12,18-dien-28-oic acid?
The molecular formula of (3beta)-3-(alpha-L-Arabinopyranosyloxy)ursa-12,18-dien-28-oic acid is C35H54O7.
What is the molecular weight of (3beta)-3-(alpha-L-Arabinopyranosyloxy)ursa-12,18-dien-28-oic acid?
The molecular weight of (3beta)-3-(alpha-L-Arabinopyranosyloxy)ursa-12,18-dien-28-oic acid is 586.39 g/mol.
Where can I buy (3beta)-3-(alpha-L-Arabinopyranosyloxy)ursa-12,18-dien-28-oic acid?
You can request a quote for (3beta)-3-(alpha-L-Arabinopyranosyloxy)ursa-12,18-dien-28-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3beta)-3-(alpha-L-Arabinopyranosyloxy)ursa-12,18-dien-28-oic acid?
Yes, KEHONG BIO provides custom synthesis services for (3beta)-3-(alpha-L-Arabinopyranosyloxy)ursa-12,18-dien-28-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.