海杧果素
TL;DR: 海杧果素 (CAS 25390-16-3) is a chemical compound with molecular formula C32H46O10 and molecular weight 590.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
海杧果素
[(2S,5R)-5-hydroxy-2-[[(1R,3S,5S,7S,10S,14R,18R)-18-hydroxy-10,14-dimethyl-15-(5-oxo-2H-furan-3-yl)-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-7-yl]oxy]-4-methoxy-6-methyloxan-3-yl] acetate
Also Known As: Tanghinin, Tanghinigenin + acetyl-thevetose [German], Tanghinigenin 3-((2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy), (9xi,17xi)-3beta-[(2-O-Acetyl-6-deoxy-3-O-methyl-alpha-D-glycero-hexopyranosyl)oxy]-14-hydroxy-5beta,7beta-7,8-epoxycard-20(22)-enolide, 3-[(2-O-Acetyl-6-deoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy-7,8-epoxycard-20(22)-enolide
| Molecular Formula | C32H46O10 |
|---|---|
| Molecular Weight | 590.31 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 590.3091 |
| Heavy Atoms | 42 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 25390-16-3 |
|---|---|
| SMILES | CC1[C@H](C(C([C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)C[C@H]4[C@@]5(C3CC[C@]6([C@@]5(CCC6C7=CC(=O)OC7)O)C)O4)C)OC(=O)C)OC)O |
| InChIKey | BTRWTSHCXGFFFL-BHOXJZAHSA-N |
Product Overview
海杧果素 (CAS 25390-16-3), with molecular formula C32H46O10 and molecular weight 590.31 g/mol. IUPAC: [(2S,5R)-5-hydroxy-2-[[(1R,3S,5S,7S,10S,14R,18R)-18-hydroxy-10,14-dimethyl-15-(5-oxo-2H-furan-3-yl)-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-7-yl]oxy]-4-methoxy-6-methyloxan-3-yl] acetate.
Chemical Property Profile of 海杧果素
Property Insights of 海杧果素
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 海杧果素. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 海杧果素. Following Lipinski's Rule of Five, 海杧果素 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 海杧果素?
The CAS number of 海杧果素 is 25390-16-3.
What is the molecular formula of 海杧果素?
The molecular formula of 海杧果素 is C32H46O10.
What is the molecular weight of 海杧果素?
The molecular weight of 海杧果素 is 590.31 g/mol.
Where can I buy 海杧果素?
You can request a quote for 海杧果素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 海杧果素?
Yes, KEHONG BIO provides custom synthesis services for 海杧果素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.