![(6R)-6-[(3aS,7E,7aS)-7-[2-[(3R,5R)-3,5-Bis(acetyloxy)cyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]-2-hydroxy-2-methyl-3-heptanone structure](/static/products/791/791623-13-7.png)
(6R)-6-[(3aS,7E,7aS)-7-[2-[(3R,5R)-3,5-Bis(acetyloxy)cyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]-2-hydroxy-2-methyl-3-heptanone
TL;DR: (6R)-6-[(3aS,7E,7aS)-7-[2-[(3R,5R)-3,5-Bis(acetyloxy)cyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]-2-hydroxy-2-methyl-3-heptanone (CAS 791623-13-7) is a chemical compound with molecular formula C30H44O6 and molecular weight 500.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,5R)-3-[(2E)-2-[(3aS,7aS)-1-[(2R)-6-hydroxy-6-methyl-5-oxoheptan-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-acetyloxycyclohexyl] acetate
Also Known As: (6R)-6-[(3aS,7E,7aS)-7-[2-[(3R,5R)-3,5-Bis(acetyloxy)cyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]-2-hydroxy-2-methyl-3-heptanone
| Molecular Formula | C30H44O6 |
|---|---|
| Molecular Weight | 500.31 g/mol |
| LogP | 5.7793 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 500.31378 |
| Heavy Atoms | 36 |
| Complexity | 922.97614 |
Chemical Identifiers
| CAS Number | 791623-13-7 |
|---|---|
| SMILES | C[C@H](CCC(=O)C(C)(C)O)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)OC(=O)C)OC(=O)C)C |
Product Overview
(6R)-6-[(3aS,7E,7aS)-7-[2-[(3R,5R)-3,5-Bis(acetyloxy)cyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]-2-hydroxy-2-methyl-3-heptanone (CAS 791623-13-7), with molecular formula C30H44O6 and molecular weight 500.31 g/mol. IUPAC: [(1R,5R)-3-[(2E)-2-[(3aS,7aS)-1-[(2R)-6-hydroxy-6-methyl-5-oxoheptan-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-acetyloxycyclohexyl] acetate.
Chemical Property Profile of (6R)-6-[(3aS,7E,7aS)-7-[2-[(3R,5R)-3,5-Bis(acetyloxy)cyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]-2-hydroxy-2-methyl-3-heptanone
Property Insights of (6R)-6-[(3aS,7E,7aS)-7-[2-[(3R,5R)-3,5-Bis(acetyloxy)cyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]-2-hydroxy-2-methyl-3-heptanone
The XLogP value of 5.7793 indicates that (6R)-6-[(3aS,7E,7aS)-7-[2-[(3R,5R)-3,5-Bis(acetyloxy)cyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]-2-hydroxy-2-methyl-3-heptanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (6R)-6-[(3aS,7E,7aS)-7-[2-[(3R,5R)-3,5-Bis(acetyloxy)cyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]-2-hydroxy-2-methyl-3-heptanone. Following Lipinski's Rule of Five, (6R)-6-[(3aS,7E,7aS)-7-[2-[(3R,5R)-3,5-Bis(acetyloxy)cyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]-2-hydroxy-2-methyl-3-heptanone has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6R)-6-[(3aS,7E,7aS)-7-[2-[(3R,5R)-3,5-Bis(acetyloxy)cyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]-2-hydroxy-2-methyl-3-heptanone?
The CAS number of (6R)-6-[(3aS,7E,7aS)-7-[2-[(3R,5R)-3,5-Bis(acetyloxy)cyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]-2-hydroxy-2-methyl-3-heptanone is 791623-13-7.
What is the molecular formula of (6R)-6-[(3aS,7E,7aS)-7-[2-[(3R,5R)-3,5-Bis(acetyloxy)cyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]-2-hydroxy-2-methyl-3-heptanone?
The molecular formula of (6R)-6-[(3aS,7E,7aS)-7-[2-[(3R,5R)-3,5-Bis(acetyloxy)cyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]-2-hydroxy-2-methyl-3-heptanone is C30H44O6.
What is the molecular weight of (6R)-6-[(3aS,7E,7aS)-7-[2-[(3R,5R)-3,5-Bis(acetyloxy)cyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]-2-hydroxy-2-methyl-3-heptanone?
The molecular weight of (6R)-6-[(3aS,7E,7aS)-7-[2-[(3R,5R)-3,5-Bis(acetyloxy)cyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]-2-hydroxy-2-methyl-3-heptanone is 500.31 g/mol.
Where can I buy (6R)-6-[(3aS,7E,7aS)-7-[2-[(3R,5R)-3,5-Bis(acetyloxy)cyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]-2-hydroxy-2-methyl-3-heptanone?
You can request a quote for (6R)-6-[(3aS,7E,7aS)-7-[2-[(3R,5R)-3,5-Bis(acetyloxy)cyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]-2-hydroxy-2-methyl-3-heptanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6R)-6-[(3aS,7E,7aS)-7-[2-[(3R,5R)-3,5-Bis(acetyloxy)cyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]-2-hydroxy-2-methyl-3-heptanone?
Yes, KEHONG BIO provides custom synthesis services for (6R)-6-[(3aS,7E,7aS)-7-[2-[(3R,5R)-3,5-Bis(acetyloxy)cyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1H-inden-3-yl]-2-hydroxy-2-methyl-3-heptanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.