Mancinellin
TL;DR: Mancinellin (CAS 57672-76-1) is a chemical compound with molecular formula C36H52O8 and molecular weight 612.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,4R,5S,6S,10S,11R,12R,14S,16R)-5,6,11-trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-14-yl] (2E,4E,6E)-hexadeca-2,4,6-trienoate
Also Known As: Mancinellin, [(1R,2S,4R,5S,6S,10S,11R,12R,14S,16R)-5,6,11-trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-14-yl] (2E,4E,6E)-hexadeca-2,4,6-trienoate, (1aR,1bR,1cS,2aR,3S,3aS,6aS,6bR,7R,8aS)-3,3a,6b-Trihydroxy-2a-(hydroxymethyl)-1,1,5,7-tetramethyl-4-oxo-1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-8aH-cyclopropa[5',6']benzo[1',2':7,8]azuleno[5,6-b]oxiren-8a-yl (2E,4E,6E)-hexadeca-2,4,6-trienoate, (1R,2S,4R,5S,6S,10S,11R,12R,14S,16R)-5,6,11-trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-14-yl hexadeca-2,4,6-trienoate, Hexadeca-2,4,6-trienoic acid [(1aR)-1,1a,1bbeta,1cbeta,2a,3,3a,4,6aalpha,6b,7,8-dodecahydro-3beta,3abeta,6balpha-trihydroxy-2abeta-hydroxymethyl-1,1,5,7alpha-tetramethyl-4-oxo-8aH-cyclopropa[5 ,6 ]benz[1 ,2 :7,8]azuleno[5,6-b]oxiren-8aalpha-yl] ester
| Molecular Formula | C36H52O8 |
|---|---|
| Molecular Weight | 612.37 g/mol |
| LogP | 4.5015 |
| Topological Polar Surface Area | 136.82 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 612.3662 |
| Heavy Atoms | 44 |
| Complexity | 1248.3702 |
Chemical Identifiers
| CAS Number | 57672-76-1 |
|---|---|
| SMILES | CCCCCCCCC/C=C/C=C/C=C/C(=O)O[C@@]12C[C@H]([C@@]3([C@@H]4C=C(C(=O)[C@]4([C@@H]([C@@]5([C@H]([C@H]3[C@@H]1C2(C)C)O5)CO)O)O)C)O)C |
Product Overview
Mancinellin (CAS 57672-76-1), with molecular formula C36H52O8 and molecular weight 612.37 g/mol. IUPAC: [(1R,2S,4R,5S,6S,10S,11R,12R,14S,16R)-5,6,11-trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-14-yl] (2E,4E,6E)-hexadeca-2,4,6-trienoate.
Chemical Property Profile of Mancinellin
Property Insights of Mancinellin
The XLogP value of 4.5015 indicates that Mancinellin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Mancinellin. Following Lipinski's Rule of Five, Mancinellin 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 Mancinellin?
The CAS number of Mancinellin is 57672-76-1.
What is the molecular formula of Mancinellin?
The molecular formula of Mancinellin is C36H52O8.
What is the molecular weight of Mancinellin?
The molecular weight of Mancinellin is 612.37 g/mol.
Where can I buy Mancinellin?
You can request a quote for Mancinellin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mancinellin?
Yes, KEHONG BIO provides custom synthesis services for Mancinellin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.