5,6-Epoxy-4,16,20,22-tetrahydroxy-1-oxoergost-2-eno-26,23-lactone
TL;DR: 5,6-Epoxy-4,16,20,22-tetrahydroxy-1-oxoergost-2-eno-26,23-lactone (CAS 71801-45-1) is a chemical compound with molecular formula C28H40O8 and molecular weight 504.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-[1-(3,4-dimethyl-5-oxooxolan-2-yl)-1,2-dihydroxypropan-2-yl]-6,14-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
Also Known As: IXOCARPALACTONE A, IxoA cpd, 15-[1-(3,4-dimethyl-5-oxooxolan-2-yl)-1,2-dihydroxypropan-2-yl]-6,14-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one, 15-[1-(3,4-dimethyl-5-oxooxolan-2-yl)-1,2-dihydroxypropan-2-yl]-6,14-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadec-4-en-3-one, 5,6-Epoxy-4,16,20,22-tetrahydroxy-1-oxoergost-2-eno-26,23-lactone
| Molecular Formula | C28H40O8 |
|---|---|
| Molecular Weight | 504.27 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 504.2723 |
| Heavy Atoms | 36 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 71801-45-1 |
|---|---|
| SMILES | CC1C(C(=O)OC1C(C(C)(C2C(CC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)O)O)O)C |
| InChIKey | PHBPDHFIJFLEGD-UHFFFAOYSA-N |
Product Overview
5,6-Epoxy-4,16,20,22-tetrahydroxy-1-oxoergost-2-eno-26,23-lactone (CAS 71801-45-1), with molecular formula C28H40O8 and molecular weight 504.27 g/mol. IUPAC: 15-[1-(3,4-dimethyl-5-oxooxolan-2-yl)-1,2-dihydroxypropan-2-yl]-6,14-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one.
Chemical Property Profile of 5,6-Epoxy-4,16,20,22-tetrahydroxy-1-oxoergost-2-eno-26,23-lactone
Property Insights of 5,6-Epoxy-4,16,20,22-tetrahydroxy-1-oxoergost-2-eno-26,23-lactone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Epoxy-4,16,20,22-tetrahydroxy-1-oxoergost-2-eno-26,23-lactone. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Epoxy-4,16,20,22-tetrahydroxy-1-oxoergost-2-eno-26,23-lactone. Following Lipinski's Rule of Five, 5,6-Epoxy-4,16,20,22-tetrahydroxy-1-oxoergost-2-eno-26,23-lactone has 4 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 5,6-Epoxy-4,16,20,22-tetrahydroxy-1-oxoergost-2-eno-26,23-lactone?
The CAS number of 5,6-Epoxy-4,16,20,22-tetrahydroxy-1-oxoergost-2-eno-26,23-lactone is 71801-45-1.
What is the molecular formula of 5,6-Epoxy-4,16,20,22-tetrahydroxy-1-oxoergost-2-eno-26,23-lactone?
The molecular formula of 5,6-Epoxy-4,16,20,22-tetrahydroxy-1-oxoergost-2-eno-26,23-lactone is C28H40O8.
What is the molecular weight of 5,6-Epoxy-4,16,20,22-tetrahydroxy-1-oxoergost-2-eno-26,23-lactone?
The molecular weight of 5,6-Epoxy-4,16,20,22-tetrahydroxy-1-oxoergost-2-eno-26,23-lactone is 504.27 g/mol.
Where can I buy 5,6-Epoxy-4,16,20,22-tetrahydroxy-1-oxoergost-2-eno-26,23-lactone?
You can request a quote for 5,6-Epoxy-4,16,20,22-tetrahydroxy-1-oxoergost-2-eno-26,23-lactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Epoxy-4,16,20,22-tetrahydroxy-1-oxoergost-2-eno-26,23-lactone?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Epoxy-4,16,20,22-tetrahydroxy-1-oxoergost-2-eno-26,23-lactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.