Aescultitannin B
TL;DR: Aescultitannin B (CAS 114612-77-0) is a chemical compound with molecular formula C45H36O18 and molecular weight 864.1902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,5S,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
Also Known As: Aesculitannin B, AESCULTITANNIN B, J1.517.384J, (1R,5S,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-((2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl)-4,12,14-trioxapentacyclo(11.7.1.02,11.03,8.015,20)henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol, (1R,5S,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
Technical Specifications
| Molecular Formula | C45H36O18 |
| Molecular Weight | 864.1902 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 320.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 4 |
| Exact Mass | 864.1902 Da |
| Heavy Atoms | 63 |
| Complexity | 1610.0 |
| SMILES | C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@@H](OC4=C3C(=CC5=C4[C@@H]6[C@H]([C@](O5)(OC7=CC(=CC(=C67)O)O)C8=CC(=C(C=C8)O)O)O)O)C9=CC(=C(C=C9)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O |
| InChIKey | BYSRPHRKESMCPO-XDJXAWJCSA-N |
Product Description
Applications: Aescultitannin B is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Aescultitannin B (CAS 114612-77-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, Aescultitannin B (CAS 114612-77-0) has the molecular formula C45H36O18 and a molecular weight of 864.19 g/mol. It is also known as Aesculitannin B and AESCULTITANNIN B.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Aescultitannin B
Property Insights of Aescultitannin B
The XLogP value of 3.3 indicates that Aescultitannin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 320.0 Ų indicates high polarity, suggesting Aescultitannin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aescultitannin B has 14 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Aescultitannin B?
The CAS number of Aescultitannin B is 114612-77-0.
What is the molecular formula of Aescultitannin B?
The molecular formula of Aescultitannin B is C45H36O18.
What is the molecular weight of Aescultitannin B?
The molecular weight of Aescultitannin B is 864.1902 g/mol.
What are the applications of Aescultitannin B?
Aescultitannin B is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Aescultitannin B (CAS 114612-77-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy Aescultitannin B?
You can request a quote for Aescultitannin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aescultitannin B?
Yes, CoreyChem provides custom synthesis services for Aescultitannin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.