22-Deoxocucurbitacin D
TL;DR: 22-Deoxocucurbitacin D (CAS 15371-78-5) is a chemical compound with molecular formula C30H46O6 and molecular weight 502.32944 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
17-[(E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
Also Known As: 22-deoxocucurbitacin D, 17-[(E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione, (2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2S)-2,6-Dihydroxy-6-methylhept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione, 14-[(4E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-4,13-dihydroxy-1,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,17-dione, 14-((4E)-2,6-dihydroxy-6-methylhept-4-en-2-yl)-4,13-dihydroxy-1,6,6,11,15-pentamethyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadec-7-ene-5,17-dione
Technical Specifications
| Molecular Formula | C30H46O6 |
| Molecular Weight | 502.32944 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.32944 Da |
| Heavy Atoms | 36 |
| Complexity | 1020.0 |
| SMILES | CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2CC(C1=O)O)C)C)C(C)(C/C=C/C(C)(C)O)O)O)C)C |
| InChIKey | IJFYQSUPMMVTOA-FMIVXFBMSA-N |
Chemical Property Profile of 22-Deoxocucurbitacin D
Property Insights of 22-Deoxocucurbitacin D
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 22-Deoxocucurbitacin D. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 22-Deoxocucurbitacin D. Following Lipinski's Rule of Five, 22-Deoxocucurbitacin D has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 22-Deoxocucurbitacin D?
The CAS number of 22-Deoxocucurbitacin D is 15371-78-5.
What is the molecular formula of 22-Deoxocucurbitacin D?
The molecular formula of 22-Deoxocucurbitacin D is C30H46O6.
What is the molecular weight of 22-Deoxocucurbitacin D?
The molecular weight of 22-Deoxocucurbitacin D is 502.32944 g/mol.
Where can I buy 22-Deoxocucurbitacin D?
You can request a quote for 22-Deoxocucurbitacin D directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 22-Deoxocucurbitacin D?
Yes, CoreyChem provides custom synthesis services for 22-Deoxocucurbitacin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.