![taccalonolide B [M+H]+ structure](/static/products/108/108885-69-4.png)
taccalonolide B [M+H]+
TL;DR: taccalonolide B [M+H]+ (CAS 108885-69-4) is a chemical compound with molecular formula C34H44O13 and molecular weight 660.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10,14-diacetyloxy-3,22,25-trihydroxy-11,15,17,22,23-pentamethyl-4,21-dioxo-8,20-dioxaheptacyclo[13.10.0.02,12.05,11.07,9.016,24.019,23]pentacos-18-en-13-yl) acetate
Also Known As: Taccalonolide B, taccalonolide B [M+H]+, (diacetoxy-trihydroxy-pentamethyl-dioxo-[?]yl) acetate, 11,12-Bis(acetyloxy)-5,6,7-trihydroxy-1,5,5a,11a,13a-pentamethyl-4,8-dioxo-4,5,5a,5b,6,6a,6b,7,8,8a,9,9a,10a,11,11a,11b,12,13,13a,13b-icosahydro-1H-oxireno[2'',3'':6',7']naphtho[1',2':7,8]fluoreno[2,1-b]furan-13-yl acetate
| Molecular Formula | C34H44O13 |
|---|---|
| Molecular Weight | 660.28 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 660.2782 |
| Heavy Atoms | 47 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 108885-69-4 |
|---|---|
| SMILES | CC1C=C2C(C3C1C4(C(C3O)C5C(C(C4OC(=O)C)OC(=O)C)C6(C(CC7C(C6OC(=O)C)O7)C(=O)C5O)C)C)(C(C(=O)O2)(C)O)C |
| InChIKey | FFQOXBQSZPYHSA-UHFFFAOYSA-N |
Product Overview
taccalonolide B [M+H]+ (CAS 108885-69-4), with molecular formula C34H44O13 and molecular weight 660.28 g/mol. IUPAC: (10,14-diacetyloxy-3,22,25-trihydroxy-11,15,17,22,23-pentamethyl-4,21-dioxo-8,20-dioxaheptacyclo[13.10.0.02,12.05,11.07,9.016,24.019,23]pentacos-18-en-13-yl) acetate.
Chemical Property Profile of taccalonolide B [M+H]+
Property Insights of taccalonolide B [M+H]+
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for taccalonolide B [M+H]+. The TPSA of 195.0 Ų indicates high polarity, suggesting taccalonolide B [M+H]+ may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, taccalonolide B [M+H]+ has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of taccalonolide B [M+H]+?
The CAS number of taccalonolide B [M+H]+ is 108885-69-4.
What is the molecular formula of taccalonolide B [M+H]+?
The molecular formula of taccalonolide B [M+H]+ is C34H44O13.
What is the molecular weight of taccalonolide B [M+H]+?
The molecular weight of taccalonolide B [M+H]+ is 660.28 g/mol.
Where can I buy taccalonolide B [M+H]+?
You can request a quote for taccalonolide B [M+H]+ directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for taccalonolide B [M+H]+?
Yes, KEHONG BIO provides custom synthesis services for taccalonolide B [M+H]+ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.