3,4,7,8,9,10a-Hexakis(acetyloxy)-2,2,9,12-tetramethyl-6-methylene-11-oxotetradecahydro-1aH-cyclopenta(5,6)cyclododeca(1,2-b)oxiren-5-yl 2-methylpropanoate
TL;DR: 3,4,7,8,9,10a-Hexakis(acetyloxy)-2,2,9,12-tetramethyl-6-methylene-11-oxotetradecahydro-1aH-cyclopenta(5,6)cyclododeca(1,2-b)oxiren-5-yl 2-methylpropanoate (CAS 188640-74-6) is a chemical compound with molecular formula C36H50O16 and molecular weight 738.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9R)-2,9,10,11,12,16-hexaacetyloxy-3,3,7,10-tetramethyl-14-methylidene-8-oxo-5-oxatricyclo[11.3.0.04,6]hexadecan-15-yl] 2-methylpropanoate
Also Known As: 3,4,7,8,9,10a-Hexakis(acetyloxy)-2,2,9,12-tetramethyl-6-methylene-11-oxotetradecahydro-1aH-cyclopenta(5,6)cyclododeca(1,2-b)oxiren-5-yl 2-methylpropanoate, (hexaacetoxy-tetramethyl-methylene-oxo-[?]yl) 2-methylpropanoate, 3,4,7,8,9,10a-Hexakis(acetyloxy)-2,2,9,12-tetramethyl-6-methylene-11-oxotetradecahydro-1aH-cyclopenta[5,6]cyclododeca[1,2-b]oxiren-5-yl 2-methylpropanoate
| Molecular Formula | C36H50O16 |
|---|---|
| Molecular Weight | 738.31 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 15 |
| Exact Mass | 738.3099 |
| Heavy Atoms | 52 |
| Complexity | 1500.0 |
Chemical Identifiers
| CAS Number | 188640-74-6 |
|---|---|
| SMILES | CC1C2C(O2)C(C(C3C(C(C(C([C@H](C1=O)OC(=O)C)(C)OC(=O)C)OC(=O)C)OC(=O)C)C(=C)C(C3OC(=O)C)OC(=O)C(C)C)OC(=O)C)(C)C |
| InChIKey | HTCOOGBPZYCUIH-LDJDDPOMSA-N |
Product Overview
3,4,7,8,9,10a-Hexakis(acetyloxy)-2,2,9,12-tetramethyl-6-methylene-11-oxotetradecahydro-1aH-cyclopenta(5,6)cyclododeca(1,2-b)oxiren-5-yl 2-methylpropanoate (CAS 188640-74-6), with molecular formula C36H50O16 and molecular weight 738.31 g/mol. IUPAC: [(9R)-2,9,10,11,12,16-hexaacetyloxy-3,3,7,10-tetramethyl-14-methylidene-8-oxo-5-oxatricyclo[11.3.0.04,6]hexadecan-15-yl] 2-methylpropanoate.
Chemical Property Profile of 3,4,7,8,9,10a-Hexakis(acetyloxy)-2,2,9,12-tetramethyl-6-methylene-11-oxotetradecahydro-1aH-cyclopenta(5,6)cyclododeca(1,2-b)oxiren-5-yl 2-methylpropanoate
Property Insights of 3,4,7,8,9,10a-Hexakis(acetyloxy)-2,2,9,12-tetramethyl-6-methylene-11-oxotetradecahydro-1aH-cyclopenta(5,6)cyclododeca(1,2-b)oxiren-5-yl 2-methylpropanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,7,8,9,10a-Hexakis(acetyloxy)-2,2,9,12-tetramethyl-6-methylene-11-oxotetradecahydro-1aH-cyclopenta(5,6)cyclododeca(1,2-b)oxiren-5-yl 2-methylpropanoate. The TPSA of 214.0 Ų indicates high polarity, suggesting 3,4,7,8,9,10a-Hexakis(acetyloxy)-2,2,9,12-tetramethyl-6-methylene-11-oxotetradecahydro-1aH-cyclopenta(5,6)cyclododeca(1,2-b)oxiren-5-yl 2-methylpropanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,4,7,8,9,10a-Hexakis(acetyloxy)-2,2,9,12-tetramethyl-6-methylene-11-oxotetradecahydro-1aH-cyclopenta(5,6)cyclododeca(1,2-b)oxiren-5-yl 2-methylpropanoate has 0 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 3,4,7,8,9,10a-Hexakis(acetyloxy)-2,2,9,12-tetramethyl-6-methylene-11-oxotetradecahydro-1aH-cyclopenta(5,6)cyclododeca(1,2-b)oxiren-5-yl 2-methylpropanoate?
The CAS number of 3,4,7,8,9,10a-Hexakis(acetyloxy)-2,2,9,12-tetramethyl-6-methylene-11-oxotetradecahydro-1aH-cyclopenta(5,6)cyclododeca(1,2-b)oxiren-5-yl 2-methylpropanoate is 188640-74-6.
What is the molecular formula of 3,4,7,8,9,10a-Hexakis(acetyloxy)-2,2,9,12-tetramethyl-6-methylene-11-oxotetradecahydro-1aH-cyclopenta(5,6)cyclododeca(1,2-b)oxiren-5-yl 2-methylpropanoate?
The molecular formula of 3,4,7,8,9,10a-Hexakis(acetyloxy)-2,2,9,12-tetramethyl-6-methylene-11-oxotetradecahydro-1aH-cyclopenta(5,6)cyclododeca(1,2-b)oxiren-5-yl 2-methylpropanoate is C36H50O16.
What is the molecular weight of 3,4,7,8,9,10a-Hexakis(acetyloxy)-2,2,9,12-tetramethyl-6-methylene-11-oxotetradecahydro-1aH-cyclopenta(5,6)cyclododeca(1,2-b)oxiren-5-yl 2-methylpropanoate?
The molecular weight of 3,4,7,8,9,10a-Hexakis(acetyloxy)-2,2,9,12-tetramethyl-6-methylene-11-oxotetradecahydro-1aH-cyclopenta(5,6)cyclododeca(1,2-b)oxiren-5-yl 2-methylpropanoate is 738.31 g/mol.
Where can I buy 3,4,7,8,9,10a-Hexakis(acetyloxy)-2,2,9,12-tetramethyl-6-methylene-11-oxotetradecahydro-1aH-cyclopenta(5,6)cyclododeca(1,2-b)oxiren-5-yl 2-methylpropanoate?
You can request a quote for 3,4,7,8,9,10a-Hexakis(acetyloxy)-2,2,9,12-tetramethyl-6-methylene-11-oxotetradecahydro-1aH-cyclopenta(5,6)cyclododeca(1,2-b)oxiren-5-yl 2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,7,8,9,10a-Hexakis(acetyloxy)-2,2,9,12-tetramethyl-6-methylene-11-oxotetradecahydro-1aH-cyclopenta(5,6)cyclododeca(1,2-b)oxiren-5-yl 2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 3,4,7,8,9,10a-Hexakis(acetyloxy)-2,2,9,12-tetramethyl-6-methylene-11-oxotetradecahydro-1aH-cyclopenta(5,6)cyclododeca(1,2-b)oxiren-5-yl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.