| SpectraBase Compound ID | JIB4BdWfoSP |
|---|---|
| InChI | InChI=1S/C59H86N12O26.2C2HF3O2/c1-22(2)13-35(77)96-49-44(83)42(81)32(20-74)94-57(49)97-48-33(21-75)95-56(47(86)45(48)84)92-26-11-9-24(10-12-26)14-27-51(88)69-37(39(78)28-15-63-58(60)67-28)54(91)70-38(40(79)30-16-64-59(61)71(30)55-46(85)43(82)41(80)31(19-73)93-55)53(90)66-29(18-72)50(87)62-17-34(76)68-36(52(89)65-27)23(3)25-7-5-4-6-8-25;2*3-2(4,5)1(6)7/h4-12,22-23,27-33,36-49,55-57,72-75,78-86H,13-21H2,1-3H3,(H11,60,61,62,63,64,65,66,67,68,69,70,76,87,88,89,90,91);2*(H,6,7)/t23-,27-,28-,29+,30-,31-,32-,33-,36+,37+,38-,39-,40-,41-,42-,43+,44+,45-,46+,47+,48-,49+,55+,56+,57-;;/m1../s1 |
| InChIKey | YGISOGRWTSSDGW-XMHPVIOLSA-N |
| Mol Weight | 1607.441 g/mol |
| Molecular Formula | C63H88F6N12O30 |
| Exact Mass | 1606.563348 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JSPMo2cfans |
|---|---|
| Name | MANNOPEPTIMYCIN-GAMMA |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H88F6N12O30 |
| InChI | InChI=1S/C59H86N12O26.2C2HF3O2/c1-22(2)13-35(77)96-49-44(83)42(81)32(20-74)94-57(49)97-48-33(21-75)95-56(47(86)45(48)84)92-26-11-9-24(10-12-26)14-27-51(88)69-37(39(78)28-15-63-58(60)67-28)54(91)70-38(40(79)30-16-64-59(61)71(30)55-46(85)43(82)41(80)31(19-73)93-55)53(90)66-29(18-72)50(87)62-17-34(76)68-36(52(89)65-27)23(3)25-7-5-4-6-8-25;2*3-2(4,5)1(6)7/h4-12,22-23,27-33,36-49,55-57,72-75,78-86H,13-21H2,1-3H3,(H11,60,61,62,63,64,65,66,67,68,69,70,76,87,88,89,90,91);2*(H,6,7)/t23-,27-,28-,29+,30-,31-,32-,33-,36+,37+,38-,39-,40-,41-,42-,43+,44+,45-,46+,47+,48-,49+,55+,56+,57-;;/m1../s1 |
| InChIKey | YGISOGRWTSSDGW-XMHPVIOLSA-N |
| Literature Reference Author | H.HE,R.T.WILLIAMSON,B.SHEN,E.I.GRAZIANI,H.Y.YANG,S.M.SAKYA,P .J.PETERSON,G.T.CART |
| Literature Reference Citation | J.AM.CHEM.SOC.,124,9729(2002) |
| Literature Reference DOI | 10.1021/ja020257s |
| Molecular Weight | 1607.445 g/mol |
| Sample ID | 34137 |
| Solvent | CD3OD:D2O=1:1 |