Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, diacetate, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta,8'beta))-
TL;DR: Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, diacetate, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta,8'beta))- (CAS 136176-61-9) is a chemical compound with molecular formula C23H26O7 and molecular weight 414.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2'S,5'S,10S,11S)-2'-acetyloxy-5'-(furan-3-yl)-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-diene-9,3'-oxolane]-11-yl] acetate
Also Known As: Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, diacetate, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta,8'beta))-, (2'S,5'S,7S,8S)-5'-(Furan-3-yl)-7-methyl-3,4,5,5a,7,8-hexahydrospiro[naphtho[1,8-bc]furan-6,3'-oxolane]-2',8-diyl diacetate, 5'-(Furan-3-yl)-7-methyl-3,4,5,5a,7,8-hexahydrospiro[naphtho[1,8-bc]furan-6,3'-oxolane]-2',8-diyl diacetate
| Molecular Formula | C23H26O7 |
|---|---|
| Molecular Weight | 414.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.16785 |
| Heavy Atoms | 30 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 136176-61-9 |
|---|---|
| SMILES | C[C@@H]1[C@@H](C2=C3C(C14C[C@H](O[C@H]4OC(=O)C)C5=COC=C5)CCCC3=CO2)OC(=O)C |
| InChIKey | ROZIKSQPGZJREI-XHDLNSPZSA-N |
Product Overview
Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, diacetate, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta,8'beta))- (CAS 136176-61-9), with molecular formula C23H26O7 and molecular weight 414.17 g/mol. IUPAC: [(2'S,5'S,10S,11S)-2'-acetyloxy-5'-(furan-3-yl)-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-diene-9,3'-oxolane]-11-yl] acetate.
Chemical Property Profile of Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, diacetate, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta,8'beta))-
Property Insights of Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, diacetate, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta,8'beta))-
The XLogP value of 3.2 indicates that Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, diacetate, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta,8'beta))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, diacetate, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta,8'beta))-. Following Lipinski's Rule of Five, Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, diacetate, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta,8'beta))- has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, diacetate, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta,8'beta))-?
The CAS number of Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, diacetate, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta,8'beta))- is 136176-61-9.
What is the molecular formula of Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, diacetate, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta,8'beta))-?
The molecular formula of Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, diacetate, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta,8'beta))- is C23H26O7.
What is the molecular weight of Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, diacetate, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta,8'beta))-?
The molecular weight of Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, diacetate, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta,8'beta))- is 414.17 g/mol.
Where can I buy Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, diacetate, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta,8'beta))-?
You can request a quote for Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, diacetate, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta,8'beta))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, diacetate, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta,8'beta))-?
Yes, KEHONG BIO provides custom synthesis services for Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, diacetate, (5'aS-(5'aalpha,6'beta(2R*,5R*),7'beta,8'beta))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.