Shinjudilactone
TL;DR: Shinjudilactone (CAS 80180-30-9) is a chemical compound with molecular formula C20H24O7 and molecular weight 376.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,5R,7S,11R,13S,17S,18S,19R)-5,17-dihydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.05,19.013,18]nonadec-14-ene-4,9,16-trione
Also Known As: Shinjudilactone, dihydroxy(trimethyl)[?]trione, 1,5-Methano-2H,4H,5H-naphtho(3,2-b:2,1-c')dipyran-2,7,12(6H,8aH)-trione, 1,9,9a,13,13a,13b-hexahydro-1,13-dihydroxy-10,13a,14-trimethyl-,(1R,4aR,5S,8aS,9aR,13R,13aR,13bS,14R)-, (1R,4aS,5S,8aR,9aS,13S,13aS,13bR)-1,13-Dihydroxy-10,13a,14-trimethyl-1,9,9a,13,13a,13b-hexahydro-2H,4H,5H-1,5-methanonaphtho[2,3-b:3,4-c']dipyran-2,7,12(6H,8aH)-trione, 1,13-Dihydroxy-10,13a,14-trimethyl-1,9,9a,13,13a,13b-hexahydro-2H,4H,5H-1,5-methanonaphtho[2,3-b:3,4-c']dipyran-2,7,12(6H,8aH)-trione
| Molecular Formula | C20H24O7 |
|---|---|
| Molecular Weight | 376.15 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 376.1522 |
| Heavy Atoms | 27 |
| Complexity | 817.0 |
Chemical Identifiers
| CAS Number | 80180-30-9 |
|---|---|
| SMILES | CC1[C@@H]2CC(=O)O[C@H]3[C@@]24COC(=O)[C@@]1([C@@H]4[C@@]5([C@@H](C3)C(=CC(=O)[C@H]5O)C)C)O |
| InChIKey | XCAPDGKSNAMUQC-SUQAYODVSA-N |
Product Overview
Shinjudilactone (CAS 80180-30-9), with molecular formula C20H24O7 and molecular weight 376.15 g/mol. IUPAC: (1S,5R,7S,11R,13S,17S,18S,19R)-5,17-dihydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.05,19.013,18]nonadec-14-ene-4,9,16-trione.
Chemical Property Profile of Shinjudilactone
Property Insights of Shinjudilactone
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Shinjudilactone. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Shinjudilactone. Following Lipinski's Rule of Five, Shinjudilactone has 2 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 Shinjudilactone?
The CAS number of Shinjudilactone is 80180-30-9.
What is the molecular formula of Shinjudilactone?
The molecular formula of Shinjudilactone is C20H24O7.
What is the molecular weight of Shinjudilactone?
The molecular weight of Shinjudilactone is 376.15 g/mol.
Where can I buy Shinjudilactone?
You can request a quote for Shinjudilactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Shinjudilactone?
Yes, KEHONG BIO provides custom synthesis services for Shinjudilactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.