Hispidin B
TL;DR: Hispidin B (CAS 75975-32-5) is a chemical compound with molecular formula C38H48O13 and molecular weight 712.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3S,3aR,4R,5R,6R,7aS)-6-[(5R,5aR,9aS)-5,9a-dimethyl-2,7-dioxo-6,9-dihydro-5aH-pyrano[3,4-b]oxepin-5-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-1-[(E)-2-methylbut-2-enoyl]oxy-7-methylidene-1,2,3,4,5,6-hexahydroinden-4-yl] (2R,3S)-2-hydroxy-3-methylpentanoate
Also Known As: Hispidin B, Cepacaine, Pentanoic acid, 2-hydroxy-3-methyl-, (1S,3S,3aR,4R,5R,6R,7aS)-5-(formyloxy)-3-(3-furanyl)octahydro-7a-hydroxy-3a-methyl-7-methylene-1-(((2E)-2-methyl-1-oxo-2-butenyl)oxy)-6-((5R,5aR,9aS)-octahydro-5,9a-dimethyl-2,7-dioxo-2H-pyrano(3,4-b)oxepin-5-yl)-1H-inden-4-yl ester, (2R,3R)-, [(1S,3S,3aR,4R,5R,6R,7aS)-6-[(5R,5aR,9aS)-5,9a-dimethyl-2,7-dioxo-6,9-dihydro-5aH-pyrano[3,4-b]oxepin-5-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-1-[(E)-2-methylbut-2-enoyl]oxy-7-methylidene-1,2,3,4,5,6-hexahydroinden-4-yl] (2R,3S)-2-hydroxy-3-methylpentanoate
| Molecular Formula | C38H48O13 |
|---|---|
| Molecular Weight | 712.31 g/mol |
| LogP | 3.8698 |
| Topological Polar Surface Area | 185.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 712.3095 |
| Heavy Atoms | 51 |
| Complexity | 1627.0546 |
Chemical Identifiers
| CAS Number | 75975-32-5 |
|---|---|
| SMILES | CC[C@H](C)[C@H](C(=O)O[C@H]1[C@@H]([C@@H](C(=C)[C@@]2([C@@]1([C@@H](C[C@@H]2OC(=O)/C(=C/C)/C)C3=COC=C3)C)O)[C@]4(C=CC(=O)O[C@]5([C@@H]4CC(=O)OC5)C)C)OC=O)O |
Product Overview
Hispidin B (CAS 75975-32-5), with molecular formula C38H48O13 and molecular weight 712.31 g/mol. IUPAC: [(1S,3S,3aR,4R,5R,6R,7aS)-6-[(5R,5aR,9aS)-5,9a-dimethyl-2,7-dioxo-6,9-dihydro-5aH-pyrano[3,4-b]oxepin-5-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-1-[(E)-2-methylbut-2-enoyl]oxy-7-methylidene-1,2,3,4,5,6-hexahydroinden-4-yl] (2R,3S)-2-hydroxy-3-methylpentanoate.
Chemical Property Profile of Hispidin B
Property Insights of Hispidin B
The XLogP value of 3.8698 indicates that Hispidin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 185.1 Ų indicates high polarity, suggesting Hispidin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hispidin B has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hispidin B?
The CAS number of Hispidin B is 75975-32-5.
What is the molecular formula of Hispidin B?
The molecular formula of Hispidin B is C38H48O13.
What is the molecular weight of Hispidin B?
The molecular weight of Hispidin B is 712.31 g/mol.
Where can I buy Hispidin B?
You can request a quote for Hispidin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hispidin B?
Yes, KEHONG BIO provides custom synthesis services for Hispidin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.