桤木鞣素
TL;DR: 桤木鞣素 (CAS 78836-99-4) is a chemical compound with molecular formula C41H26O26 and molecular weight 934.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
桤木鞣素
(12R,15R,32S,33R)-4,5,6,14,20,21,22,25,26,27,38,39,45,46-tetradecahydroxy-2,10,13,16,31,34,41-heptaoxanonacyclo[34.9.3.03,8.012,33.015,32.018,23.024,29.040,48.043,47]octatetraconta-1(45),3,5,7,18,20,22,24,26,28,36,38,40(48),43,46-pentadecaene-9,17,30,35,42-pentone
Also Known As: Alnusiin, (12R,15R,32S,33R)-4,5,6,14,20,21,22,25,26,27,38,39,45,46-tetradecahydroxy-2,10,13,16,31,34,41-heptaoxanonacyclo[34.9.3.03,8.012,33.015,32.018,23.024,29.040,48.043,47]octatetraconta-1(45),3,5,7,18,20,22,24,26,28,36,38,40(48),43,46-pentadecaene-9,17,30,35,42-pentone, (7aR,9aR,21aS,21bR)-1,2,3,9,13,14,15,16,17,18,25,26,30,33-Tetradecahydroxy-7,7a,9,9a,21a,21b-hexahydro-5H,23H,28H-29,31-(ethanediylidene)benzo[h]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-c]pyrano[4,3,2-mn][2,6,10]benzotrioxacyclopentadecine-5,11,20,23,28-pentone
| Molecular Formula | C41H26O26 |
|---|---|
| Molecular Weight | 934.07 g/mol |
| LogP | 1.7559 |
| Topological Polar Surface Area | 437.09 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 0 |
| Exact Mass | 934.0712 |
| Heavy Atoms | 67 |
| Complexity | 3315.6914 |
Chemical Identifiers
| CAS Number | 78836-99-4 |
|---|---|
| SMILES | C1[C@@H]2[C@H]([C@H]3[C@H](C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C7=C6C8=C(C(=C(C=C8C(=O)O7)O)OC9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O |
Product Overview
桤木鞣素 (CAS 78836-99-4), with molecular formula C41H26O26 and molecular weight 934.07 g/mol. IUPAC: (12R,15R,32S,33R)-4,5,6,14,20,21,22,25,26,27,38,39,45,46-tetradecahydroxy-2,10,13,16,31,34,41-heptaoxanonacyclo[34.9.3.03,8.012,33.015,32.018,23.024,29.040,48.043,47]octatetraconta-1(45),3,5,7,18,20,22,24,26,28,36,38,40(48),43,46-pentadecaene-9,17,30,35,42-pentone.
Chemical Property Profile of 桤木鞣素
Property Insights of 桤木鞣素
The XLogP value of 1.7559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 桤木鞣素. The TPSA of 437.09 Ų indicates high polarity, suggesting 桤木鞣素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 桤木鞣素 has 14 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 桤木鞣素?
The CAS number of 桤木鞣素 is 78836-99-4.
What is the molecular formula of 桤木鞣素?
The molecular formula of 桤木鞣素 is C41H26O26.
What is the molecular weight of 桤木鞣素?
The molecular weight of 桤木鞣素 is 934.07 g/mol.
Where can I buy 桤木鞣素?
You can request a quote for 桤木鞣素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 桤木鞣素?
Yes, KEHONG BIO provides custom synthesis services for 桤木鞣素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.