Vaticanol B
TL;DR: Vaticanol B (CAS 287101-83-1) is a chemical compound with molecular formula C56H42O12 and molecular weight 906.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,3S,9R,10R,17R)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol
Also Known As: Vaticanol B, (-)-Vaticanol B, SID:53787440, J1.336.418D, (12S,13S)-1,6,7,11balpha-Tetrahydro-1alpha,7alpha,12-tris(4-hydroxyphenyl)-13-[2,3-dihydro-6-hydroxy-2beta-(4-hydroxyphenyl)-3alpha-(3,5-dihydroxyphenyl)benzofuran-4-yl]-5,6alpha-ethanobenzo[6,7]cyclohepta[1,2,3-cd]benzofuran-4,8,10-triol
| Molecular Formula | C56H42O12 |
|---|---|
| Molecular Weight | 906.27 g/mol |
| LogP | 10.4322 |
| Topological Polar Surface Area | 220.76 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 906.26764 |
| Heavy Atoms | 68 |
| Complexity | 3311.1626 |
Chemical Identifiers
| CAS Number | 287101-83-1 |
|---|---|
| SMILES | C1=CC(=CC=C1[C@H]2[C@@H]3[C@@H](C4=C(C=C(C=C4O)O)[C@H]5[C@@H](OC6=C5C3=C([C@@H]2C7=C8[C@H]([C@@H](OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=CC(=CC(=C1)O)O)C(=C6)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O |
Product Overview
Vaticanol B (CAS 287101-83-1), with molecular formula C56H42O12 and molecular weight 906.27 g/mol. IUPAC: (1R,2S,3S,9R,10R,17R)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol.
Chemical Property Profile of Vaticanol B
Property Insights of Vaticanol B
The XLogP value of 10.4322 indicates that Vaticanol B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 220.76 Ų indicates high polarity, suggesting Vaticanol B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vaticanol B has 10 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vaticanol B?
The CAS number of Vaticanol B is 287101-83-1.
What is the molecular formula of Vaticanol B?
The molecular formula of Vaticanol B is C56H42O12.
What is the molecular weight of Vaticanol B?
The molecular weight of Vaticanol B is 906.27 g/mol.
Where can I buy Vaticanol B?
You can request a quote for Vaticanol B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vaticanol B?
Yes, KEHONG BIO provides custom synthesis services for Vaticanol B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.