Virgaureasaponin I
TL;DR: Virgaureasaponin I (CAS 112515-98-7) is a chemical compound with molecular formula C59H96O27 and molecular weight 1236.6139 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: Virgaureasaponin I, Bernardioside D, Virgaureasaponin 1, Bellissaponin BS2, Bellidiastroside D1
Technical Specifications
| Molecular Formula | C59H96O27 |
| Molecular Weight | 1236.6139 g/mol |
| XLogP | -1.9 |
| Topological Polar Surface Area (TPSA) | 433.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 13 |
| Exact Mass | 1236.6139 Da |
| Heavy Atoms | 86 |
| Complexity | 2420.0 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](CO[C@H]([C@@H]2O)O[C@H]3[C@@H](O[C@H]([C@@H]([C@@H]3O)O)O[C@@H]4[C@H]([C@H]([C@H](O[C@H]4OC(=O)C56CCC(C[C@H]5C7=CC[C@H]8[C@]([C@@]7(C[C@H]6O)C)(CC[C@@H]9[C@@]8(C[C@@H]([C@@H]([C@@]9(C)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)C)(C)C)C)O)O)C)O)O)O)O |
| InChIKey | CIWGZAMPYZZVBR-LBZBBBEFSA-N |
Product Description
Applications: Virgaureasaponin I is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Virgaureasaponin I (CAS 112515-98-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Virgaureasaponin I is a fine chemical identified by CAS number 112515-98-7 and the molecular formula C59H96O27 and a molecular weight of 1236.61 g/mol. It is also known as Virgaureasaponin I and Bernardioside D.
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 Virgaureasaponin I
Property Insights of Virgaureasaponin I
The XLogP value of -1.9 indicates that Virgaureasaponin I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 433.0 Ų indicates high polarity, suggesting Virgaureasaponin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Virgaureasaponin I has 16 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Virgaureasaponin I?
The CAS number of Virgaureasaponin I is 112515-98-7.
What is the molecular formula of Virgaureasaponin I?
The molecular formula of Virgaureasaponin I is C59H96O27.
What is the molecular weight of Virgaureasaponin I?
The molecular weight of Virgaureasaponin I is 1236.6139 g/mol.
What are the applications of Virgaureasaponin I?
Virgaureasaponin I is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Virgaureasaponin I (CAS 112515-98-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS,...
Where can I buy Virgaureasaponin I?
You can request a quote for Virgaureasaponin I directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Virgaureasaponin I?
Yes, CoreyChem provides custom synthesis services for Virgaureasaponin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.