18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol
TL;DR: 18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol (CAS 74715-49-4) is a chemical compound with molecular formula C30H50O3 and molecular weight 458.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picene-3,8-diol
Also Known As: Heliantriol B0, 18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol, (18alpha,19alpha)-Urs-20-ene-3beta,16beta,28-triol, Urs-20-ene-3,16,28-triol, (3I(2),16I(2),18I+/-,19I+/-)-, (3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picene-3,8-diol
| Molecular Formula | C30H50O3 |
|---|---|
| Molecular Weight | 458.38 g/mol |
| LogP | 5.968 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 458.376 |
| Heavy Atoms | 33 |
| Complexity | 832.3984 |
Chemical Identifiers
| CAS Number | 74715-49-4 |
|---|---|
| SMILES | C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(C[C@@H]([C@]2(CC=C1C)CO)O)C)C)(C)C)O)C |
Product Overview
18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol (CAS 74715-49-4), with molecular formula C30H50O3 and molecular weight 458.38 g/mol. IUPAC: (3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picene-3,8-diol.
Chemical Property Profile of 18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol
Property Insights of 18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol
The XLogP value of 5.968 indicates that 18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol. Following Lipinski's Rule of Five, 18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol?
The CAS number of 18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol is 74715-49-4.
What is the molecular formula of 18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol?
The molecular formula of 18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol is C30H50O3.
What is the molecular weight of 18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol?
The molecular weight of 18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol is 458.38 g/mol.
Where can I buy 18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol?
You can request a quote for 18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol?
Yes, KEHONG BIO provides custom synthesis services for 18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.