DREGEANIN
TL;DR: DREGEANIN (CAS 62640-13-5) is a chemical compound with molecular formula C37H46O14 and molecular weight 714.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(5-acetyloxy-4,9a-dimethyl-2,7-dioxo-3a,5,6,9-tetrahydro-3H-furo[2,3-c]oxocin-4-yl)-5-formyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 2-acetyloxy-3-methylpentanoate
Also Known As: DREGEANIN, [6-(5-acetyloxy-4,9a-dimethyl-2,7-dioxo-3a,5,6,9-tetrahydro-3H-furo[2,3-c]oxocin-4-yl)-5-formyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 2-acetyloxy-3-methylpentanoate, [6-(5-acetyloxy-4,9a-dimethyl-2,7-dioxo-3a,5,6,9-tetrahydro-, 6-[5-(Acetyloxy)-4,9a-dimethyl-2,7-dioxooctahydro-2H-furo[2,3-c]oxocin-4-yl]-5-(formyloxy)-3-(furan-3-yl)-3a-methyl-7-methylideneoctahydroindeno[1,7a-b]oxiren-4-yl 2-(acetyloxy)-3-methylpentanoate
| Molecular Formula | C37H46O14 |
|---|---|
| Molecular Weight | 714.29 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 714.28876 |
| Heavy Atoms | 51 |
| Complexity | 1490.0 |
Chemical Identifiers
| CAS Number | 62640-13-5 |
|---|---|
| SMILES | CCC(C)C(C(=O)OC1C(C(C(=C)C23C1(C(CC2O3)C4=COC=C4)C)C5(C6CC(=O)OC6(COC(=O)CC5OC(=O)C)C)C)OC=O)OC(=O)C |
| InChIKey | BILAMKFGAFCWCS-UHFFFAOYSA-N |
Product Overview
DREGEANIN (CAS 62640-13-5), with molecular formula C37H46O14 and molecular weight 714.29 g/mol. IUPAC: [6-(5-acetyloxy-4,9a-dimethyl-2,7-dioxo-3a,5,6,9-tetrahydro-3H-furo[2,3-c]oxocin-4-yl)-5-formyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 2-acetyloxy-3-methylpentanoate.
Chemical Property Profile of DREGEANIN
Property Insights of DREGEANIN
The XLogP value of 3.3 indicates that DREGEANIN is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 183.0 Ų indicates high polarity, suggesting DREGEANIN may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DREGEANIN has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DREGEANIN?
The CAS number of DREGEANIN is 62640-13-5.
What is the molecular formula of DREGEANIN?
The molecular formula of DREGEANIN is C37H46O14.
What is the molecular weight of DREGEANIN?
The molecular weight of DREGEANIN is 714.29 g/mol.
Where can I buy DREGEANIN?
You can request a quote for DREGEANIN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DREGEANIN?
Yes, KEHONG BIO provides custom synthesis services for DREGEANIN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.