| SpectraBase Compound ID | 92cP9GRh3tp |
|---|---|
| InChI | InChI=1S/C61H106O22/c1-31-14-10-11-18-45(68)36(6)55(74)32(2)15-12-16-34(4)60(79)81-49(39(9)50-22-23-53(72)80-50)19-13-17-40(63)25-41(64)27-46(69)37(7)56(75)38(8)47(70)28-42(65)26-43(66)29-48(71)51(24-35(5)54(73)33(3)20-21-44(31)67)82-61-59(78)58(77)57(76)52(30-62)83-61/h10,13-14,16-17,20-21,24,31-33,36-59,61-78H,11-12,15,18-19,22-23,25-30H2,1-9H3/b14-10-,17-13-,21-20-,34-16-,35-24-/t31?,32?,33?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52-,53?,54?,55?,56?,57-,58+,59+,61-/m0/s1 |
| InChIKey | ZQGMDHCZCLGAKC-XMRXBLLOSA-N |
| Mol Weight | 1191.5 g/mol |
| Molecular Formula | C61H106O22 |
| Exact Mass | 1190.717575 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FjgYzKpLTNp |
|---|---|
| Name | DESERTOMYCIN_D;DIASTEREOMER_2 |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H106O22 |
| InChI | InChI=1S/C61H106O22/c1-31-14-10-11-18-45(68)36(6)55(74)32(2)15-12-16-34(4)60(79)81-49(39(9)50-22-23-53(72)80-50)19-13-17-40(63)25-41(64)27-46(69)37(7)56(75)38(8)47(70)28-42(65)26-43(66)29-48(71)51(24-35(5)54(73)33(3)20-21-44(31)67)82-61-59(78)58(77)57(76)52(30-62)83-61/h10,13-14,16-17,20-21,24,31-33,36-59,61-78H,11-12,15,18-19,22-23,25-30H2,1-9H3/b14-10-,17-13-,21-20-,34-16-,35-24-/t31?,32?,33?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52-,53?,54?,55?,56?,57-,58+,59+,61-/m0/s1 |
| InChIKey | ZQGMDHCZCLGAKC-XMRXBLLOSA-N |
| Literature Reference Author | M.ZERLIN,R.THIERICKE |
| Literature Reference Citation | J.ORG.CHEM.,59,6986(1994) |
| Literature Reference DOI | 10.1021/jo00102a023 |
| Molecular Weight | 1191.499 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ2776 |