Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate)
TL;DR: Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate) (CAS 71407-32-4) is a chemical compound with molecular formula C39H42O10 and molecular weight 670.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,6R,10S,11R,13R,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate
Also Known As: Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate), [(2R,3aR,3bS,6aR,9aR,10R,11aR)-2-Benzyl-6a-hydroxy-8,10-dimethyl-7-oxo-11a-(prop-1-en-2-yl)-3a,6,6a,7,9a,10,11,11a-octahydro-2H,3bH-2,9b-epoxyazuleno[4',5':5,6]benzo[1,2-d][1,3]dioxol-5-yl]methyl [4-(acetyloxy)-3-methoxyphenyl]acetate, [2-Benzyl-6a-hydroxy-8,10-dimethyl-7-oxo-11a-(prop-1-en-2-yl)-3a,6,6a,7,9a,10,11,11a-octahydro-2H,3bH-2,9b-epoxyazuleno[4',5':5,6]benzo[1,2-d][1,3]dioxol-5-yl]methyl [4-(acetyloxy)-3-methoxyphenyl]acetate
| Molecular Formula | C39H42O10 |
|---|---|
| Molecular Weight | 670.28 g/mol |
| LogP | 4.9644 |
| Topological Polar Surface Area | 126.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 670.2778 |
| Heavy Atoms | 49 |
| Complexity | 1795.5645 |
Chemical Identifiers
| CAS Number | 71407-32-4 |
|---|---|
| SMILES | C[C@@H]1C[C@]2([C@H]3[C@H]4C1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)CC6=CC(=C(C=C6)OC(=O)C)OC)O)C)O[C@@](O3)(O2)CC7=CC=CC=C7)C(=C)C |
Product Overview
Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate) (CAS 71407-32-4), with molecular formula C39H42O10 and molecular weight 670.28 g/mol. IUPAC: [(2R,6R,10S,11R,13R,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate.
Chemical Property Profile of Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate)
Property Insights of Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate)
The XLogP value of 4.9644 indicates that Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate). Following Lipinski's Rule of Five, Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate) has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate)?
The CAS number of Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate) is 71407-32-4.
What is the molecular formula of Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate)?
The molecular formula of Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate) is C39H42O10.
What is the molecular weight of Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate)?
The molecular weight of Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate) is 670.28 g/mol.
Where can I buy Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate)?
You can request a quote for Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate)?
Yes, KEHONG BIO provides custom synthesis services for Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-(acetyloxy)-3-methoxybenzeneacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.