Registration Dossier
Registration Dossier
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EC number: 238-493-1 | CAS number: 14487-05-9
Reference substances
- IUPAC name:
- (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-Trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-4',6,23,29-tetraoxospiro[8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28), 2,4,9,19,21,25-heptaene-27,2'-[1,3]dioxolan]-13-yl acetate
Inventory
- EC number:
- 238-493-1
- EC name:
- Rifamycin, 4-O-(carboxymethyl)-1-deoxy-1,4-dihydro-4-hydroxy-1-oxo-, γ-lactone
- CAS number:
- 14487-05-9
- CAS number:
- 14487-05-9
Synonyms
- Names:
- Identifier:
- IUPAC name
- Rifamycin, 4-O-(carboxymethyl)-1-deoxy-1,4-dihydro-4-hydroxy-1-oxo-, γ-lactone
- Identifier:
- IUPAC name
- Rifamycin, 4-O-(carboxymethyl)-1-deoxy-1,4-dihydro-4-hydroxy-1-oxo-, γ-lactone
- Identifier:
- other: SMILES notation
- C3(C1=C4C(=C(C2=C1C5(C=C(C2=O)NC(=O)C(=CC=CC(C(C(C(C(C(C(C(C=COC3(C)O4)OC)C)OC(C)=O)C)O)C)O)C)C)OC(CO5)=O)O)C)=O
- Identifier:
- other: Molecular formula
- C39H47NO14
- Identifier:
- other: InChl
- InChI=1/C39H47NO14/c1-17-11-10-12-18(2)37(48)40-24-15-39(51-16-26(42)53-39)29-27(33(24)46)32(45)22(6)35-28(29)36(47)38(8,54-35)50-14-13-25(49-9)19(3)34(52-23(7)41)21(5)31(44)20(4)30(17)43/h10-15,17,19-21,25,30-31,34,43-45H,16H2,1-9H3,(H,40,48)/b11-10+,14-13+,18-12-/f/h40H
Molecular and structural information
- Molecular formula:
- C39H47NO14
- Molecular weight:
- ca. 696
- SMILES notation:
- C[C@H]1/C=C/C=C(\C(=O)NC2=CC3(C4=C5C(=C(C(=C4C2=O)O)C)O[C@@](C5=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)OCC(=O)O3)/C
- InChl:
- InChI=1S/C39H47NO14/c1-17-11-10-12-18(2)37(48)40-24-15-39(51-16-26(42)53-39)29-27(33(24)46)32(45)22(6)35-28(29)36(47)38(8,54-35)50-14-13-25(49-9)19(3)34(52-23(7)41)21(5)31(44)20(4)30(17)43/h10-15,17,19-21,25,30-31,34,43-45H,16H2,1-9H3,(H,40,48)/b11-10+,14-13+,18-12-/t17-,19+,20+,21+,25-,30-,31+,34+,38-,39?/m0/s1
- Structural formula:
Related substances
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