Methyl helicterate
TL;DR: Methyl helicterate (CAS 102637-02-5) is a chemical compound with molecular formula C40H56O6 and molecular weight 632.4077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetyloxy-5a-(benzoyloxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
Also Known As: Methyl helicterate, methyl (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetyloxy-5a-(benzoyloxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate, Methyl 3-(acetyloxy)-27-(benzoyloxy)lup-20(29)-en-28-oate, Lup-20(29)-en-28-oic acid, 3-(acetyloxy)-27-(benzoyloxy)-, methyl ester, (3beta)-, methyl (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a-(benzoyloxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
Technical Specifications
| Molecular Formula | C40H56O6 |
| Molecular Weight | 632.4077 g/mol |
| XLogP | 9.9 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 632.4077 Da |
| Heavy Atoms | 46 |
| Complexity | 1230.0 |
| SMILES | CC(=C)[C@@H]1CC[C@]2([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)COC(=O)C6=CC=CC=C6)C)(C)C)OC(=O)C)C)C(=O)OC |
| InChIKey | MYBPKOKJNVOFNJ-GTKYOZKMSA-N |
Chemical Property Profile of Methyl helicterate
Property Insights of Methyl helicterate
The XLogP value of 9.9 indicates that Methyl helicterate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl helicterate. Following Lipinski's Rule of Five, Methyl helicterate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Methyl helicterate?
The CAS number of Methyl helicterate is 102637-02-5.
What is the molecular formula of Methyl helicterate?
The molecular formula of Methyl helicterate is C40H56O6.
What is the molecular weight of Methyl helicterate?
The molecular weight of Methyl helicterate is 632.4077 g/mol.
Where can I buy Methyl helicterate?
You can request a quote for Methyl helicterate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl helicterate?
Yes, CoreyChem provides custom synthesis services for Methyl helicterate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.