Myrotoxin B
TL;DR: Myrotoxin B (CAS 99486-49-4) is a chemical compound with molecular formula C29H34O11 and molecular weight 558.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3S,7R,9S,12R,14R,15S,17R,20Z,23Z)-28-hydroxy-10,16-dimethyl-4,19-dioxospiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20,23-triene-15,2'-oxirane]-9-yl] acetate
Also Known As: Myrotoxin B, Spiro[10,12:19,22a-dimethano-4H,5H,22aH-oxireno[8,9][1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-11(10H),2'-oxirane]-2,14(1aH,17H)-dione, 6-(acetyloxy)-6,8a,11a,12,21,22-hexahydro-23-hydroxy-7,11a-dimethyl-, (1aS,2'S,4aR,6S,8aR,10R,11aS,12R,15Z,18Z,22aR,23S)-
| Molecular Formula | C29H34O11 |
|---|---|
| Molecular Weight | 558.21 g/mol |
| LogP | 1.4185 |
| Topological Polar Surface Area | 142.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 1 |
| Exact Mass | 558.2101 |
| Heavy Atoms | 40 |
| Complexity | 1248.2145 |
Chemical Identifiers
| CAS Number | 99486-49-4 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@@]3(C[C@@H]1OC(=O)C)COC(=O)[C@@H]4[C@@]5(O4)CCO/C(=C\C/C=C\C(=O)O[C@H]6C3([C@]7(CO7)[C@@H](C6)O2)C)/C5O |
Product Overview
Myrotoxin B (CAS 99486-49-4), with molecular formula C29H34O11 and molecular weight 558.21 g/mol. IUPAC: [(1R,3S,7R,9S,12R,14R,15S,17R,20Z,23Z)-28-hydroxy-10,16-dimethyl-4,19-dioxospiro[2,5,13,18,25-pentaoxahexacyclo[22.3.1.114,17.01,3.07,12.07,16]nonacosa-10,20,23-triene-15,2'-oxirane]-9-yl] acetate.
Chemical Property Profile of Myrotoxin B
Property Insights of Myrotoxin B
The XLogP value of 1.4185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Myrotoxin B. The TPSA of 142.65 Ų indicates high polarity, suggesting Myrotoxin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Myrotoxin B has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Myrotoxin B?
The CAS number of Myrotoxin B is 99486-49-4.
What is the molecular formula of Myrotoxin B?
The molecular formula of Myrotoxin B is C29H34O11.
What is the molecular weight of Myrotoxin B?
The molecular weight of Myrotoxin B is 558.21 g/mol.
Where can I buy Myrotoxin B?
You can request a quote for Myrotoxin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Myrotoxin B?
Yes, KEHONG BIO provides custom synthesis services for Myrotoxin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.