Nimbolinin B
TL;DR: Nimbolinin B (CAS 76689-93-5) is a chemical compound with molecular formula C35H46O10 and molecular weight 626.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,8R,11R,12S,13R,16R,20R)-17,19-diacetyloxy-8-(furan-2-yl)-4-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-12-yl] (E)-2-methylbut-2-enoate
Also Known As: NIMBOLININ B, 2-Butenoic acid, 2-methyl-, (2R,3aS,5R,6aR,6bR,7S,9R,9aR,11aR,11bR,12S,12aR)-7,9-bis(acetyloxy)-2-(3-furanyl)-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a-tetradecahydro-5-hydroxy-1,6b,9a,12a-tetramethyl-2H,5H-cyclopent(a)isobenzofuro(7,1-gh)(3)benzoxepin-12-yl ester, (2E)-
| Molecular Formula | C35H46O10 |
|---|---|
| Molecular Weight | 626.31 g/mol |
| LogP | 4.9995 |
| Topological Polar Surface Area | 130.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 626.3091 |
| Heavy Atoms | 45 |
| Complexity | 1427.3461 |
Chemical Identifiers
| CAS Number | 76689-93-5 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)O[C@@H]1[C@H]2[C@H]3[C@](CO2)(C(CC([C@@]3(C4[C@@]1(C5=C([C@@H](CC5OC(C4)O)C6=CC=CO6)C)C)C)OC(=O)C)OC(=O)C)C |
Product Overview
Nimbolinin B (CAS 76689-93-5), with molecular formula C35H46O10 and molecular weight 626.31 g/mol. IUPAC: [(1R,8R,11R,12S,13R,16R,20R)-17,19-diacetyloxy-8-(furan-2-yl)-4-hydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-12-yl] (E)-2-methylbut-2-enoate.
Chemical Property Profile of Nimbolinin B
Property Insights of Nimbolinin B
The XLogP value of 4.9995 indicates that Nimbolinin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Nimbolinin B. Following Lipinski's Rule of Five, Nimbolinin B has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nimbolinin B?
The CAS number of Nimbolinin B is 76689-93-5.
What is the molecular formula of Nimbolinin B?
The molecular formula of Nimbolinin B is C35H46O10.
What is the molecular weight of Nimbolinin B?
The molecular weight of Nimbolinin B is 626.31 g/mol.
Where can I buy Nimbolinin B?
You can request a quote for Nimbolinin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nimbolinin B?
Yes, KEHONG BIO provides custom synthesis services for Nimbolinin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.