Usararotenoid C
TL;DR: Usararotenoid C (CAS 630403-57-5) is a chemical compound with molecular formula C23H22O7 and molecular weight 410.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,13R)-1-hydroxy-17-methoxy-16-(3-methylbut-2-enyl)-5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-21-one
Also Known As: Usararotenoid C, J1.968.951D, (6aR,12aS)-2,3-Methylenedioxy-9-methoxy-8-(3,3-dimethylallyl)-12a-hydroxyrotenoid, (6aR,12aS)-12a-hydroxy-9-methoxy-8-(3-methylbut-2-en-1-yl)-6a,12a-dihydrochromeno[2,3-c][1,3]dioxolo[4,5-g]chromen-12(6H)-one, 1,3-dioxolo[6,7][1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one, 6a,12a-dihydro-12a-hydroxy-9-methoxy-8-(3-methyl-2-butenyl)-, (6aR,12aS)-
| Molecular Formula | C23H22O7 |
|---|---|
| Molecular Weight | 410.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.13657 |
| Heavy Atoms | 30 |
| Complexity | 704.0 |
Chemical Identifiers
| CAS Number | 630403-57-5 |
|---|---|
| SMILES | CC(=CCC1=C(C=CC2=C1O[C@@H]3COC4=CC5=C(C=C4[C@]3(C2=O)O)OCO5)OC)C |
| InChIKey | ZFSLOJRJABHMTL-OFNKIYASSA-N |
Product Overview
Usararotenoid C (CAS 630403-57-5), with molecular formula C23H22O7 and molecular weight 410.14 g/mol. IUPAC: (1S,13R)-1-hydroxy-17-methoxy-16-(3-methylbut-2-enyl)-5,7,11,14-tetraoxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-21-one.
Chemical Property Profile of Usararotenoid C
Property Insights of Usararotenoid C
The XLogP value of 3.8 indicates that Usararotenoid C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Usararotenoid C. Following Lipinski's Rule of Five, Usararotenoid C has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Usararotenoid C?
The CAS number of Usararotenoid C is 630403-57-5.
What is the molecular formula of Usararotenoid C?
The molecular formula of Usararotenoid C is C23H22O7.
What is the molecular weight of Usararotenoid C?
The molecular weight of Usararotenoid C is 410.14 g/mol.
Where can I buy Usararotenoid C?
You can request a quote for Usararotenoid C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Usararotenoid C?
Yes, KEHONG BIO provides custom synthesis services for Usararotenoid C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.