22-Deoxoisocucurbitacin D
TL;DR: 22-Deoxoisocucurbitacin D (CAS 15371-77-4) is a chemical compound with molecular formula C30H46O6 and molecular weight 502.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-[(E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-3,16-dihydroxy-4,4,9,13,14-pentamethyl-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,11-dione
Also Known As: 22-Deoxoisocucurbitacin D, 17-[(E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-3,16-dihydroxy-4,4,9,13,14-pentamethyl-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,11-dione, (10alpha,23E)-3alpha,16alpha,20,25-Tetrahydroxy-9beta-methyl-19-norlanosta-5,23-diene-2,11-dione, 14-[(4E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-5,13-dihydroxy-1,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-4,17-dione
| Molecular Formula | C30H46O6 |
|---|---|
| Molecular Weight | 502.33 g/mol |
| LogP | 3.7495 |
| Topological Polar Surface Area | 115.06 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.32944 |
| Heavy Atoms | 36 |
| Complexity | 1014.9467 |
Chemical Identifiers
| CAS Number | 15371-77-4 |
|---|---|
| SMILES | CC1(C(C(=O)CC2C1=CCC3C2(C(=O)CC4(C3(CC(C4C(C)(C/C=C/C(C)(C)O)O)O)C)C)C)O)C |
Product Overview
22-Deoxoisocucurbitacin D (CAS 15371-77-4), with molecular formula C30H46O6 and molecular weight 502.33 g/mol. IUPAC: 17-[(E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-3,16-dihydroxy-4,4,9,13,14-pentamethyl-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,11-dione.
Chemical Property Profile of 22-Deoxoisocucurbitacin D
Property Insights of 22-Deoxoisocucurbitacin D
The XLogP value of 3.7495 indicates that 22-Deoxoisocucurbitacin D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 22-Deoxoisocucurbitacin D. Following Lipinski's Rule of Five, 22-Deoxoisocucurbitacin D has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 22-Deoxoisocucurbitacin D?
The CAS number of 22-Deoxoisocucurbitacin D is 15371-77-4.
What is the molecular formula of 22-Deoxoisocucurbitacin D?
The molecular formula of 22-Deoxoisocucurbitacin D is C30H46O6.
What is the molecular weight of 22-Deoxoisocucurbitacin D?
The molecular weight of 22-Deoxoisocucurbitacin D is 502.33 g/mol.
Where can I buy 22-Deoxoisocucurbitacin D?
You can request a quote for 22-Deoxoisocucurbitacin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 22-Deoxoisocucurbitacin D?
Yes, KEHONG BIO provides custom synthesis services for 22-Deoxoisocucurbitacin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.