Pseudojervine
TL;DR: Pseudojervine (CAS 36069-05-3) is a chemical compound with molecular formula C33H49NO8 and molecular weight 587.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3'aS,7'aR,9R)-3',6',10,11b-tetramethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one
Also Known As: Pseudojervine, (3S,3'aS,7'aR,9R)-3',6',10,11b-tetramethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one
| Molecular Formula | C33H49NO8 |
|---|---|
| Molecular Weight | 587.35 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 587.3458 |
| Heavy Atoms | 42 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 36069-05-3 |
|---|---|
| SMILES | CC1C[C@@H]2[C@H](C([C@]3(O2)CCC4C5CC=C6C[C@H](CCC6(C5C(=O)C4=C3C)C)O[C@H]7C(C([C@@H](C(O7)CO)O)O)O)C)NC1 |
| InChIKey | HYDDDNUKNMMWBD-WJWSUNTISA-N |
Product Overview
Pseudojervine (CAS 36069-05-3), with molecular formula C33H49NO8 and molecular weight 587.35 g/mol. IUPAC: (3S,3'aS,7'aR,9R)-3',6',10,11b-tetramethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one.
Chemical Property Profile of Pseudojervine
Property Insights of Pseudojervine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudojervine. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pseudojervine. Following Lipinski's Rule of Five, Pseudojervine has 5 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 Pseudojervine?
The CAS number of Pseudojervine is 36069-05-3.
What is the molecular formula of Pseudojervine?
The molecular formula of Pseudojervine is C33H49NO8.
What is the molecular weight of Pseudojervine?
The molecular weight of Pseudojervine is 587.35 g/mol.
Where can I buy Pseudojervine?
You can request a quote for Pseudojervine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudojervine?
Yes, KEHONG BIO provides custom synthesis services for Pseudojervine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.