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| Standard English name | |
|---|---|
| Cas No. | 76095-39-1 |
| Alias | α-D-Glucopyranuronamide, O-[N-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-β-D-galactopyranuronamidosyl]-(1→4)-O-2-(acetylamino)-2,6-dideoxy-β-D-glucopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→6)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-4-C-methyl-, 3-carbamate 1-[(2R)-2-carboxy-2-[[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylene-2,6,13,17-nonadecatetraen-1-yl]oxy]ethyl hydrogen phosphate] |
| Canonical Smiles | CC(C)(CCC(=C)CC=C(C)CCC=C(C)C)C=CCCC(C)=CCOC(COP(O)(=O)OC1OC(C(N)=O)C(C)(O)C(OC(N)=O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(C(O)C(O)C3O)C(=O)NC3C(=O)CCC=3O)C(O)C2NC(C)=O)C(O)C1NC(C)=O)C(O)=O |
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| Exact Mass | 1,581.66134 |
| Smiles | O=C(O)C(OCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CCC=C(C)C)COP(=O)(O)OC1OC(C(=O)N)C(O)(C)C(OC(=O)N)C1OC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC4OC(C)C(OC5OC(C(=O)NC=6C(=O)CCC6O)C(O)C(O)C5O)C(O)C4NC(=O)C)C(O)C2NC(=O)C |
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| Inchi | InChI=1S/C69H108N5O34P/c1-30(2)15-14-17-31(3)18-19-33(5)22-25-68(9,10)24-13-12-16-32(4)23-26-96-41(61(90)91)29-98-109(94,95)108-66-56(57(107-67(71)92)69(11,93)58(106-66)59(70)88)105-63-44(73-36(8)77)47(82)54(40(101-63)28-97-64-51(86)48(83)45(80)39(27-75)100-64)103-62-43(72-35(7)76)46(81)53(34(6)99-62)102-65-52(87)49(84)50(85)55(104-65)60(89)74-42-37(78)20-21-38(42)79/h13,15,18,23-24,34,39-41,43-58,62-66,75,78,80-87,93H,5,12,14,16-17,19-22,25-29H2,1-4,6-11H3,(H2,70,88)(H2,71,92)(H,72,76)(H,73,77)(H,74,89)(H,90,91)(H,94,95) |
| InchiKey | CWWXIJNUPCBGQG-UHFFFAOYSA-N |
| Remark |
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