Produkty 105650-12-2
CAS 105650-12-2 to numer rejestracyjny substancji Chloropolysporin C. Oferty producentów: MedChemExpress. Dostępne opakowania: Get quote.
(1R,2S,18R,19R,22R,25S,28R,40S)-2-[(2R,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-5,15-dichloro-22-(3-chloro-4-hydroxyphenyl)-32,35,37-trihydroxy-19-[[(2S)-2-(4-hydroxyphenyl)-2-(methylamino)acetyl]amino]-20,23,26,42,44-pentaoxo-18,48-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid (CAS 105650-12-2) to związek chemiczny o wzorze sumarycznym C77H79Cl3N8O30 i masie molowej 1702.8 g/mol. Nazwa systematyczna IUPAC: (1R,2S,18R,19R,22R,25S,28R,40S)-2-[(2R,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-5,15-dichloro-22-(3-chloro-4-hydroxyphenyl)-32,35,37-trihydroxy-19-[[(2S)-2-(4-hydroxyphenyl)-2-(methylamino)acetyl]amino]-20,23,26,42,44-pentaoxo-18,48-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid. InChIKey: ZRPIIHCQSYHVEJ-OPNBPFFFSA-N.
| Wzór sumaryczny | C77H79Cl3N8O30 |
|---|---|
| Masa molowa | 1702.8 g/mol |
| Nazwa IUPAC | (1R,2S,18R,19R,22R,25S,28R,40S)-2-[(2R,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-5,15-dichloro-22-(3-chloro-4-hydroxyphenyl)-32,35,37-trihydroxy-19-[[(2S)-2-(4-hydroxyphenyl)-2-(methylamino)acetyl]amino]-20,23,26,42,44-pentaoxo-18,48-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid |
| InChIKey | ZRPIIHCQSYHVEJ-OPNBPFFFSA-N |
| SMILES | C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@@H]3C(=O)N[C@@H](C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@@H]6C7=CC(=C(C(=C7)OC8=C(C=C(C=C8)[C@H]([C@H](C(=O)N[C@@H](C(=O)N6)C9=CC(=C(C=C9)O)Cl)NC(=O)[C@H](C1=CC=C(C=C1)O)NC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)Cl)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC1=C(C=C2C=C1)Cl)O)C(=O)O)N)O |
Dane obliczone przez PubChem (NCBI)