Notoginsenoside R 1
TL;DR: Notoginsenoside R 1 (CAS 80416-52-0) is a chemical compound with molecular formula C30H32O14 and molecular weight 616.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4'-[1-[3-(4-hydroxyphenyl)prop-2-enoyloxy]ethyl]-5'-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
Also Known As: Notoginsenoside R 1, 13-O-p-Coumaroylplumieride, methyl (1S,4aS,7R,7aS)-4'-[1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate, methyl 4'-[1-[3-(4-hydroxyphenyl)prop-2-enoyloxy]ethyl]-5'-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
| Molecular Formula | C30H32O14 |
|---|---|
| Molecular Weight | 616.18 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 616.1792 |
| Heavy Atoms | 44 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 80416-52-0 |
|---|---|
| SMILES | CC(C1=CC2(C=CC3C2C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)OC1=O)OC(=O)C=CC5=CC=C(C=C5)O |
| InChIKey | WBCMGDNFDRNGGZ-UHFFFAOYSA-N |
Product Overview
Notoginsenoside R 1 (CAS 80416-52-0), with molecular formula C30H32O14 and molecular weight 616.18 g/mol. IUPAC: methyl 4'-[1-[3-(4-hydroxyphenyl)prop-2-enoyloxy]ethyl]-5'-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate.
Chemical Property Profile of Notoginsenoside R 1
Property Insights of Notoginsenoside R 1
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Notoginsenoside R 1. The TPSA of 208.0 Ų indicates high polarity, suggesting Notoginsenoside R 1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Notoginsenoside R 1 has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Notoginsenoside R 1?
The CAS number of Notoginsenoside R 1 is 80416-52-0.
What is the molecular formula of Notoginsenoside R 1?
The molecular formula of Notoginsenoside R 1 is C30H32O14.
What is the molecular weight of Notoginsenoside R 1?
The molecular weight of Notoginsenoside R 1 is 616.18 g/mol.
Where can I buy Notoginsenoside R 1?
You can request a quote for Notoginsenoside R 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Notoginsenoside R 1?
Yes, KEHONG BIO provides custom synthesis services for Notoginsenoside R 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.