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| Standard English name | |
|---|---|
| Cas No. | 191152-96-2 |
| Alias | 1-O-[2-[[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-13-acetyloxy-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-26-yl]sulfanyl]ethyl] 5-O-[[(2R,3R,5S)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] pentanedioate |
| Canonical Smiles | CO[C@H]1C=CO[C@@]2(C)OC3=C(C4=C(C(=O)C(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C(SCCOC(=O)CCCC(=O)OC[C@@H]1O[C@@H](C[C@H]1N=[N+]=[N-])N1C=C(C)C(=O)NC1=O)C4=O)C(O)=C3C)C2=O |
| MDL No. | |
| Exact Mass | 1,134.41035 |
| Smiles | O=C(OCCSC1=C2NC(/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@](O3)(C)C(C4=C3C(C)=C(O)C(C2=O)=C4C1=O)=O)=O)CCCC(OC[C@@H]5O[C@H](N(C(N6)=O)C=C(C)C6=O)C[C@H]5N=[N+]=[N-])=O |
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| Inchi | InChI=1S/C54H66N6O19S/c1-24-13-11-14-25(2)51(70)56-41-45(67)39-38(40-48(30(7)44(39)66)79-54(9,50(40)69)76-18-17-33(73-10)27(4)47(77-31(8)61)29(6)43(65)28(5)42(24)64)46(68)49(41)80-20-19-74-36(62)15-12-16-37(63)75-23-34-32(58-59-55)21-35(78-34)60-22-26(3)52(71)57-53(60)72/h11,13-14,17-18,22,24,27-29,32-35,42-43,47,64-66H,12,15-16,19-21,23H2,1-10H3,(H,56,70)(H,57,71,72)/b13-11+,18-17+,25-14-/t24-,27+,28+,29+,32+,33-,34-,35-,42-,43+,47+,54-/m0/s1 |
| InchiKey | PUXXMOAFMJYULQ-IPFSDGDRSA-N |
| Remark |
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