Diinsininol
TL;DR: Diinsininol (CAS 176739-79-0) is a chemical compound with molecular formula C36H32O16 and molecular weight 720.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,13S)-5,13-bis(3,4-dihydroxyphenyl)-9,19-dihydroxy-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-7-one
Also Known As: Diinsininol, (8S,14S)-2,8-Bis(3,4-dihydroxyphenyl)-5,13-dihydroxy-4-oxo-3,4-dihydro-2H,8H,14H-8,14-methano-1,7,9-trioxabenzo[6,7]cycloocta[1,2-a]naphthalen-11-yl beta-D-glucopyranoside, 2,8-Bis(3,4-dihydroxyphenyl)-5,13-dihydroxy-4-oxo-3,4-dihydro-2H,8H,14H-8,14-methano-1,7,9-trioxabenzo[6,7]cycloocta[1,2-a]naphthalen-11-yl hexopyranoside, 8,14-Methano-4H,14H-1-benzopyrano(7,8-d)(1,3)benzodioxocin-4-one, 2,8-bis(3,4-dihydroxyphenyl)-11-(beta-D-glucopyranosyloxy)-2,3-dihydro-5,13-dihydroxy-, (2R,8R,14R)-, 8,14-Methano-4H,14H-1-benzopyrano(7,8-d)(1,3)benzodioxocin-4-one, 2,8-bis(3,4-dihydroxyphenyl)-11-(beta-D-glucopyranosyloxy)-2,3-dihydro-5,13-dihydroxy-, (2R-(2alpha,8beta,14alpha))-
| Molecular Formula | C36H32O16 |
|---|---|
| Molecular Weight | 720.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 266.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 5 |
| Exact Mass | 720.169 |
| Heavy Atoms | 52 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 176739-79-0 |
|---|---|
| SMILES | C1[C@H]2C3=C(C=C(C=C3O[C@@]1(OC4=C2C5=C(C(=O)CC(O5)C6=CC(=C(C=C6)O)O)C(=C4)O)C7=CC(=C(C=C7)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O |
| InChIKey | DQBZPEAEXINSNR-ZYJPQFFYSA-N |
Product Overview
Diinsininol (CAS 176739-79-0), with molecular formula C36H32O16 and molecular weight 720.17 g/mol. IUPAC: (1S,13S)-5,13-bis(3,4-dihydroxyphenyl)-9,19-dihydroxy-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-7-one.
Chemical Property Profile of Diinsininol
Property Insights of Diinsininol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diinsininol. The TPSA of 266.0 Ų indicates high polarity, suggesting Diinsininol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diinsininol has 10 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diinsininol?
The CAS number of Diinsininol is 176739-79-0.
What is the molecular formula of Diinsininol?
The molecular formula of Diinsininol is C36H32O16.
What is the molecular weight of Diinsininol?
The molecular weight of Diinsininol is 720.17 g/mol.
Where can I buy Diinsininol?
You can request a quote for Diinsininol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diinsininol?
Yes, KEHONG BIO provides custom synthesis services for Diinsininol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.