Dihydrocucurbitacin E
TL;DR: Dihydrocucurbitacin E (CAS 28973-67-3) is a chemical compound with molecular formula C32H46O8 and molecular weight 558.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[(9R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl] acetate
Also Known As: Dihydrocucurbitacin E, 23,24-dihydrocucurbitacin E, (8xi,20xi)-2,16alpha,20-Trihydroxy-9alpha,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5-dien-25-yl acetate, [6-[(9R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl] acetate, 19-Norlanosta-1,5-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (9.beta.,10.alpha.,16.alpha.)-
| Molecular Formula | C32H46O8 |
|---|---|
| Molecular Weight | 558.32 g/mol |
| LogP | 4.4142 |
| Topological Polar Surface Area | 138.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 558.3193 |
| Heavy Atoms | 40 |
| Complexity | 1221.1398 |
Chemical Identifiers
| CAS Number | 28973-67-3 |
|---|---|
| SMILES | CC(=O)OC(C)(C)CCC(=O)C(C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3(C2CC=C4C3C=C(C(=O)C4(C)C)O)C)C)C)O)O |
Product Overview
Dihydrocucurbitacin E (CAS 28973-67-3), with molecular formula C32H46O8 and molecular weight 558.32 g/mol. IUPAC: [6-[(9R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl] acetate.
Chemical Property Profile of Dihydrocucurbitacin E
Property Insights of Dihydrocucurbitacin E
The XLogP value of 4.4142 indicates that Dihydrocucurbitacin E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Dihydrocucurbitacin E. Following Lipinski's Rule of Five, Dihydrocucurbitacin E has 3 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 Dihydrocucurbitacin E?
The CAS number of Dihydrocucurbitacin E is 28973-67-3.
What is the molecular formula of Dihydrocucurbitacin E?
The molecular formula of Dihydrocucurbitacin E is C32H46O8.
What is the molecular weight of Dihydrocucurbitacin E?
The molecular weight of Dihydrocucurbitacin E is 558.32 g/mol.
Where can I buy Dihydrocucurbitacin E?
You can request a quote for Dihydrocucurbitacin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydrocucurbitacin E?
Yes, KEHONG BIO provides custom synthesis services for Dihydrocucurbitacin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.