Orevactaene
TL;DR: Orevactaene (CAS 197631-20-2) is a chemical compound with molecular formula C34H44O10 and molecular weight 612.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z,3E,5E,7E,9E,11E,13E)-14-[(2R,3R,4S)-3,4-dihydroxy-5-oxo-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyrano[3,2-c]pyran-7-yl]-2-(2,4-dimethylhexylidene)-4-methyltetradeca-3,5,7,9,11,13-hexaenoic acid
Also Known As: Orevactaene, (2Z,3E,5E,7E,9E,11E,13E)-14-[(2R,3R,4S)-3,4-dihydroxy-5-oxo-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyrano[3,2-c]pyran-7-yl]-2-(2,4-dimethylhexylidene)-4-methyltetradeca-3,5,7,9,11,13-hexaenoic acid, 3,5,7,9,11,13-Tetradecahexaenoic acid, 14-((2R,3R,4S)-3,4-dihydro-3,4-dihydroxy-5-oxo-2-(1,2,3-trihydroxypropyl)-2H,5H-pyrano(4,3-b)pyran-7-yl)-2-(2,4-dimethylhexylidene)-4-methyl-, (2Z,3E,5E,7E,9E,11E,13E)-rel-, (2Z,3E,5E,7E,9E,11E,13E)-14-((2R,3R,4S)-3,4-dihydroxy-5-oxo-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyrano(3,2-c)pyran-7-yl)-2-(2,4-dimethylhexylidene)-4-methyltetradeca-3,5,7,9,11,13-hexaenoic acid, (2Z,3E,5E,7E,9E,11E,13E)-14-[(2R,3R,4S)-3,4-dihydroxy-5-oxo-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyrano[4,3-b]pyran-7-yl]-2-(2,4-dimethylhexylidene)-4-methyl-tetradeca-3,5,7,9,11,13-hexaenoic acid
| Molecular Formula | C34H44O10 |
|---|---|
| Molecular Weight | 612.29 g/mol |
| LogP | 3.7768 |
| Topological Polar Surface Area | 177.89 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 612.29346 |
| Heavy Atoms | 44 |
| Complexity | 1360.2582 |
Chemical Identifiers
| CAS Number | 197631-20-2 |
|---|---|
| SMILES | CCC(C)CC(C)/C=C(/C=C(\C)/C=C/C=C/C=C/C=C/C=C/C1=CC2=C([C@@H]([C@H]([C@@H](O2)C(C(CO)O)O)O)O)C(=O)O1)\C(=O)O |
Product Overview
Orevactaene (CAS 197631-20-2), with molecular formula C34H44O10 and molecular weight 612.29 g/mol. IUPAC: (2Z,3E,5E,7E,9E,11E,13E)-14-[(2R,3R,4S)-3,4-dihydroxy-5-oxo-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyrano[3,2-c]pyran-7-yl]-2-(2,4-dimethylhexylidene)-4-methyltetradeca-3,5,7,9,11,13-hexaenoic acid.
Chemical Property Profile of Orevactaene
Property Insights of Orevactaene
The XLogP value of 3.7768 indicates that Orevactaene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.89 Ų indicates high polarity, suggesting Orevactaene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Orevactaene has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Orevactaene?
The CAS number of Orevactaene is 197631-20-2.
What is the molecular formula of Orevactaene?
The molecular formula of Orevactaene is C34H44O10.
What is the molecular weight of Orevactaene?
The molecular weight of Orevactaene is 612.29 g/mol.
Where can I buy Orevactaene?
You can request a quote for Orevactaene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orevactaene?
Yes, KEHONG BIO provides custom synthesis services for Orevactaene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.