(13α,17S)-12α-[(2-Acetoxy-3-methyl-1-oxopentyl)oxy]-14β,15β:21,23-diepoxy-11β-formyloxy-7α-(2-hydroxy-3-methyl-1-oxobutoxy)-4,4,8-trimethyl-24-nor-5α-chola-1,20,22-trien-3-one (CAS 11052-31-6) — formula C40H54O12, molecular weight 726.8; category organic chemicals.
| CAS Number | 11052-31-6 |
|---|---|
| Molecular Formula | C40H54O12 |
| Molecular Weight | 726.8 |
| LogP | 6.3 |
| Category | Organic Chemicals |
(13α,17S)-12α-[(2-Acetoxy-3-methyl-1-oxopentyl)oxy]-14β,15β:21,23-diepoxy-11β-formyloxy-7α-(2-hydroxy-3-methyl-1-oxobutoxy)-4,4,8-trimethyl-24-nor-5α-chola-1,20,22-trien-3-one is a carbon-based organic compound with CAS registry number 11052-31-6 and molecular formula C40H54O12 (molecular weight 726.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 11052-31-6
Its molecular formula C40H54O12 comprises 40 C, 54 H, 12 O atoms.
Also known as: (13α,17S)-12α-[(2-Acetoxy-3-methyl-1-oxopentyl)oxy]-14β,15β:21,23-diepoxy-11β-formyloxy-7α-(2-hydroxy-3-methyl-1-oxobutoxy)-4,4,8-trimethyl-24-nor-5α-chola-1,20,22-trien-3-one · (13α,17S)-12α-[(2-乙酰氧基-3-甲基-1-氧代戊基)氧基]-14β,15β:21,23-二环氧-11β-甲酰氧基-7α-(2-羟基-3-甲基-1-氧代丁氧基)-4,4,8-三甲基-24-去甲-5α-chola-1,20,22-三烯-3-酮
Category: organic chemicals
The CAS registry number of (13α,17S)-12α-[(2-Acetoxy-3-methyl-1-oxopentyl)oxy]-14β,15β:21,23-diepoxy-11β-formyloxy-7α-(2-hydroxy-3-methyl-1-oxobutoxy)-4,4,8-trimethyl-24-nor-5α-chola-1,20,22-trien-3-one is 11052-31-6.
Molecular formula C40H54O12, molecular weight 726.8.
It is also registered under: (13α,17S)-12α-[(2-Acetoxy-3-methyl-1-oxopentyl)oxy]-14β,15β:21,23-diepoxy-11β-formyloxy-7α-(2-hydroxy-3-methyl-1-oxobutoxy)-4,4,8-trimethyl-24-nor-5α-chola-1,20,22-trien-3-one, (13α,17S)-12α-[(2-乙酰氧基-3-甲基-1-氧代戊基)氧基]-14β,15β:21,23-二环氧-11β-甲酰氧基-7α-(2-羟基-3-甲基-1-氧代丁氧基)-4,4,8-三甲基-24-去甲-5α-chola-1,20,22-三烯-3-酮.
Category: Organic Chemicals.
Independent reference data for (13α,17S)-12α-[(2-Acetoxy-3-methyl-1-oxopentyl)oxy]-14β,15β:21,23-diepoxy-11β-formyloxy-7α-(2-hydroxy-3-methyl-1-oxobutoxy)-4,4,8-trimethyl-24-nor-5α-chola-1,20,22-trien-3-one (CAS 11052-31-6), compiled from public chemistry databases.
| CAS 号 | 11052-31-6 |
|---|---|
| PubChem CID | 15559723 |
| 分子式 | C40H54O12 |
| IUPAC 名称 | [(1S,2S,4R,6S,7R,8R,9R,10R,11S,16R,18R)-9-formyloxy-6-(furan-3-yl)-18-(2-hydroxy-3-methylbutanoyl)oxy-1,7,11,15,15-pentamethyl-14-oxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-12-en-8-yl] 2-acetyloxy-3-methylpentanoate |
| Molecular Weight | 726.8 |
|---|---|
| XLogP3 | 6.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 14 |
| Exact Mass | 726.36152715 |
| Monoisotopic Mass | 726.36152715 |
| Topological Polar Surface Area | 168 |
| Heavy Atom Count | 52 |
(13α,17S)-12α-[(2-乙酰氧基-3-甲基-1-氧代戊基)氧基]-14β,15β:21,23-二环氧-11β-甲酰氧基-7α-(2-羟基-3-甲基-1-氧代丁氧基)-4,4,8-三甲基-24-去甲-5α-chola-1,20,22-三烯-3-酮 · CAS 11052-31-6 · C40H54O12.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.