Rohituka 7
TL;DR: Rohituka 7 (CAS 77943-72-7) is a chemical compound with molecular formula C35H44O13 and molecular weight 672.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,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]-1-acetyloxy-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1,2,3,4,5,6-hexahydroinden-4-yl] (3S)-2-hydroxy-3-methylpentanoate
Also Known As: Rohituka 7, TRICHILIA DREGEANA (SEEDS - SUBSTANCE UN4), Pentanoic acid, 2-hydroxy-3-methyl-, (1S,3S,3aR,4R,5R,6R,7aS)-1-(acetyloxy)-5-(formyloxy)-3-(3-furanyl)-6-((5R,5aR,9aS)-5,5a,6,7,9,9a-hexahydro-5,9a-dimethyl-2,7-dioxo-2H-pyrano(3,4-b)oxepin-5-yl)octahydro-7a-hydroxy-3a-methyl-7-methylene-1H-inden-4-yl ester, [(1S,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]-1-acetyloxy-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1,2,3,4,5,6-hexahydroinden-4-yl] (3S)-2-hydroxy-3-methylpentanoate
| Molecular Formula | C35H44O13 |
|---|---|
| Molecular Weight | 672.28 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 672.2782 |
| Heavy Atoms | 48 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 77943-72-7 |
|---|---|
| SMILES | CC[C@H](C)C(C(=O)O[C@H]1[C@@H]([C@@H](C(=C)[C@@]2([C@@]1(C(C[C@@H]2OC(=O)C)C3=COC=C3)C)O)[C@]4(C=CC(=O)O[C@]5([C@@H]4CC(=O)OC5)C)C)OC=O)O |
| InChIKey | ZZPUDABJUQWRTM-BGXGBDNWSA-N |
Product Overview
Rohituka 7 (CAS 77943-72-7), with molecular formula C35H44O13 and molecular weight 672.28 g/mol. IUPAC: [(1S,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]-1-acetyloxy-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1,2,3,4,5,6-hexahydroinden-4-yl] (3S)-2-hydroxy-3-methylpentanoate.
Chemical Property Profile of Rohituka 7
Property Insights of Rohituka 7
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rohituka 7. The TPSA of 185.0 Ų indicates high polarity, suggesting Rohituka 7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rohituka 7 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 Rohituka 7?
The CAS number of Rohituka 7 is 77943-72-7.
What is the molecular formula of Rohituka 7?
The molecular formula of Rohituka 7 is C35H44O13.
What is the molecular weight of Rohituka 7?
The molecular weight of Rohituka 7 is 672.28 g/mol.
Where can I buy Rohituka 7?
You can request a quote for Rohituka 7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rohituka 7?
Yes, KEHONG BIO provides custom synthesis services for Rohituka 7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.