Deschlorothricin
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| Category | Enzyme inhibitors |
| Catalog number | BBF-05561 |
| CAS | 72656-14-5 |
| Molecular Weight | 921.03 |
| Molecular Formula | C50H64O16 |
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Description
It is isolated from Streptomyces antibioticus. It shows DNA-binding properties and inhibits cholesterol biosynthesis.
Specification
| Synonyms | Dechloro-chlorothricin; 3'''-Dechlorochlorothricin; (1S,3R,6R,7E,13R,16S,17S,21R,22R)-17-[(2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-4-(6-methoxy-2-methylbenzoyl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-28-hydroxy-3,22-dimethyl-23,26-dioxo-24,27-dioxapentacyclo[23.2.1.01,6.013,22.016,21]octacosa-4,7,14,25(28)-tetraene-4-carboxylic acid; 18H-16a,19-Metheno-16aH-benzo[e]naphtho[2,1-m][1,4]dioxacyclopentadecin-14-carboxylic acid, 4-[[2,6-dideoxy-4-O-[2,6-dideoxy-3-O-(2-methoxy-6-methylbenzoyl)-β-D-arabino-hexopyranosyl]-β-D-arabino-hexopyranosyl]oxy]-1,2,3,4,4a,6a,7,8,9,10,12a,15,16,21,21a,21b-hexadecahydro-22-hydroxy-15,21a-dimethyl-18,21-dioxo-, (4S,4aS,6aR,11E,12aR,15R,16aS,21aR,21bR)-; 3-Dechlorochlorothricin |
| IUPAC Name | (1S,3R,6R,7E,13R,16S,17S,21R,22R)-28-hydroxy-17-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-(2-methoxy-6-methylbenzoyl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,22-dimethyl-23,26-dioxo-24,27-dioxapentacyclo[23.2.1.01,6.013,22.016,21]octacosa-4,7,14,25(28)-tetraene-4-carboxylic acid |
| Canonical SMILES | CC1CC23C(C=CCCCCC4C=CC5C(C4(C(=O)OC(=C2O)C(=O)O3)C)CCCC5OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC(=O)C8=C(C=CC=C8OC)C)O)C=C1C(=O)O |
| InChI | InChI=1S/C50H64O16/c1-25-13-11-18-36(59-6)40(25)46(56)63-37-23-39(60-27(3)41(37)52)64-42-28(4)61-38(22-34(42)51)62-35-17-12-16-33-31(35)20-19-29-14-9-7-8-10-15-30-21-32(45(54)55)26(2)24-50(30)44(53)43(47(57)66-50)65-48(58)49(29,33)5/h10-11,13,15,18-21,26-31,33-35,37-39,41-42,51-53H,7-9,12,14,16-17,22-24H2,1-6H3,(H,54,55)/b15-10-/t26-,27-,28-,29-,30-,31+,33-,34-,35+,37-,38+,39+,41-,42-,49-,50+/m1/s1 |
| InChI Key | LYENYJFQVIXEAI-QJMYNVMCSA-N |
Properties
| Boiling Point | 1033.2±65.0°C at 760 mmHg |
| Density | 1.36±0.1 g/cm3 |
| Solubility | Soluble in Methanol |
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
