葫芦素B
TL;DR: 葫芦素B (CAS 6199-67-3) 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.
葫芦素B
[6-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
Also Known As: Cucurbitacin B, [5-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate, [6-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate, 6-{2,8-dihydroxy-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-1H,2H,3H,3bH,4H,8H,9H,9aH,11H-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
| Molecular Formula | C32H46O8 |
|---|---|
| Molecular Weight | 558.32 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 558.3193 |
| Heavy Atoms | 40 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 6199-67-3 |
|---|---|
| SMILES | CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)C)C)C)O)O |
| InChIKey | IXQKXEUSCPEQRD-UHFFFAOYSA-N |
Product Overview
葫芦素B (CAS 6199-67-3), with molecular formula C32H46O8 and molecular weight 558.32 g/mol. IUPAC: [6-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate.
Chemical Property Profile of 葫芦素B
Property Insights of 葫芦素B
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 葫芦素B. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 葫芦素B. Following Lipinski's Rule of Five, 葫芦素B 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 葫芦素B?
The CAS number of 葫芦素B is 6199-67-3.
What is the molecular formula of 葫芦素B?
The molecular formula of 葫芦素B is C32H46O8.
What is the molecular weight of 葫芦素B?
The molecular weight of 葫芦素B is 558.32 g/mol.
Where can I buy 葫芦素B?
You can request a quote for 葫芦素B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 葫芦素B?
Yes, KEHONG BIO provides custom synthesis services for 葫芦素B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.