Scammonin II
TL;DR: Scammonin II (CAS 15310-28-8) is a chemical compound with molecular formula C45H78O20 and molecular weight 938.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,5,11,12-tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-27-oxo-17-pentyl-30-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.03,8.010,15]tritriacontan-33-yl] 2-methylbutanoate
Also Known As: Scammonin II, A name could not be generated for this structure., [4,5,11,12-tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-27-oxo-17-pentyl-30-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.03,8.010,15]tritriacontan-33-yl] 2-methylbutanoate, 11-(O-Glucopyranosyl-(1-4)-O-6-deoxy-2-O-(2-methyl-1-oxobutyl)mannopyranosyl-(1-2)-glucopyranosyl-(1-2)-6-deoxyglucopyranosyl)oxy-11-hydroxyhexadecanoic acid, intramol 1,3'''-ester, 4,5,11,12-tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-27-oxo-17-pentyl-30-[(3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy]-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.03,8.010,15]tritriacont-33-yl 2-methylbutanoate(non-preferred name)
| Molecular Formula | C45H78O20 |
|---|---|
| Molecular Weight | 938.51 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 11 |
| Exact Mass | 938.50867 |
| Heavy Atoms | 65 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 15310-28-8 |
|---|---|
| SMILES | CCCCCC1CCCCCCCCCC(=O)OC2C(C(OC(C2OC(=O)C(C)CC)OC3C(C(C(OC3OC4C(C(C(OC4O1)C)O)O)CO)O)O)C)OC5C(C(C(C(O5)C)O)O)O |
| InChIKey | QHKWTUIZHFKQCZ-UHFFFAOYSA-N |
Product Overview
Scammonin II (CAS 15310-28-8), with molecular formula C45H78O20 and molecular weight 938.51 g/mol. IUPAC: [4,5,11,12-tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-27-oxo-17-pentyl-30-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.03,8.010,15]tritriacontan-33-yl] 2-methylbutanoate.
Chemical Property Profile of Scammonin II
Property Insights of Scammonin II
The XLogP value of 3.1 indicates that Scammonin II is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 288.0 Ų indicates high polarity, suggesting Scammonin II may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Scammonin II has 8 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Scammonin II?
The CAS number of Scammonin II is 15310-28-8.
What is the molecular formula of Scammonin II?
The molecular formula of Scammonin II is C45H78O20.
What is the molecular weight of Scammonin II?
The molecular weight of Scammonin II is 938.51 g/mol.
Where can I buy Scammonin II?
You can request a quote for Scammonin II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Scammonin II?
Yes, KEHONG BIO provides custom synthesis services for Scammonin II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.