Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3beta)-
TL;DR: Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3beta)- (CAS 20685-09-0) is a chemical compound with molecular formula C34H54O4 and molecular weight 526.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl acetate
Also Known As: Betulin diacetate, Betulindiacetate, betulinol diacetate, betulin 3,28-diacetate, betulinol biacetate
| Molecular Formula | C34H54O4 |
|---|---|
| Molecular Weight | 526.40 g/mol |
| LogP | 9.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 526.4022 |
| Heavy Atoms | 38 |
| Complexity | 998.0 |
Chemical Identifiers
| CAS Number | 20685-09-0 |
|---|---|
| SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)COC(=O)C |
| InChIKey | MIROITGPMGDCGI-MQXQNARFSA-N |
Product Overview
Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3beta)- (CAS 20685-09-0), with molecular formula C34H54O4 and molecular weight 526.40 g/mol. IUPAC: [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl acetate.
Chemical Property Profile of Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3beta)-
Property Insights of Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3beta)-
The XLogP value of 9.4 indicates that Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3beta)- has 0 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 Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3beta)-?
The CAS number of Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3beta)- is 20685-09-0.
What is the molecular formula of Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3beta)-?
The molecular formula of Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3beta)- is C34H54O4.
What is the molecular weight of Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3beta)-?
The molecular weight of Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3beta)- is 526.40 g/mol.
Where can I buy Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3beta)-?
You can request a quote for Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3beta)-?
Yes, KEHONG BIO provides custom synthesis services for Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.