Humistratin
TL;DR: Humistratin (CAS 81340-34-3) is a chemical compound with molecular formula C29H38O9 and molecular weight 530.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3R,5S,7R,9R,10S,12R,14R,15S,18R,22R)-9,10,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-23-ene-14-carbaldehyde
Also Known As: HUMISTRATIN, (3aR,5aS,6aR,7aS,9R,11R,11aS,12aR,13aR,13bS,15aR)-3a,11,11a-Trihydroxy-9,15a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-1,2,3,3a,5,5a,6,6a,9,10,11,11a,12a,13,13b,14,15,15a-octadecahydro-7aH,13aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxine-13a-carbaldehyde
| Molecular Formula | C29H38O9 |
|---|---|
| Molecular Weight | 530.25 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 530.2516 |
| Heavy Atoms | 38 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 81340-34-3 |
|---|---|
| SMILES | C[C@@H]1C[C@H]([C@]2([C@@H](O1)O[C@@H]3C[C@@H]4CC=C5[C@@H]([C@]4(C[C@H]3O2)C=O)CC[C@]6([C@@]5(CCC6C7=CC(=O)OC7)O)C)O)O |
| InChIKey | LYTOHESBUGTAQI-PHJPSXNCSA-N |
Product Overview
Humistratin (CAS 81340-34-3), with molecular formula C29H38O9 and molecular weight 530.25 g/mol. IUPAC: (1S,3R,5S,7R,9R,10S,12R,14R,15S,18R,22R)-9,10,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-23-ene-14-carbaldehyde.
Chemical Property Profile of Humistratin
Property Insights of Humistratin
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Humistratin. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Humistratin. Following Lipinski's Rule of Five, Humistratin has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Humistratin?
The CAS number of Humistratin is 81340-34-3.
What is the molecular formula of Humistratin?
The molecular formula of Humistratin is C29H38O9.
What is the molecular weight of Humistratin?
The molecular weight of Humistratin is 530.25 g/mol.
Where can I buy Humistratin?
You can request a quote for Humistratin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Humistratin?
Yes, KEHONG BIO provides custom synthesis services for Humistratin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.