| SpectraBase Compound ID | 1NVfSfUpo20 |
|---|---|
| InChI | InChI=1S/C58H92O27/c1-53(2)30-9-12-56(5)31(8-7-23-24-15-54(3)13-14-58(24,22-78-52(54)74)32(62)16-57(23,56)6)55(30,4)11-10-33(53)83-50-45(85-49-44(73)40(69)36(65)27(18-60)80-49)38(67)29(21-77-50)82-51-46(84-48-42(71)34(63)25(61)19-75-48)41(70)37(66)28(81-51)20-76-47-43(72)39(68)35(64)26(17-59)79-47/h7,24-51,59-73H,8-22H2,1-6H3/t24?,25-,26-,27-,28-,29+,30?,31?,32-,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,54+,55+,56-,57-,58-/m1/s1 |
| InChIKey | MMQDKDDIGRODID-RIYHKBRNSA-N |
| Mol Weight | 1221.3 g/mol |
| Molecular Formula | C58H92O27 |
| Exact Mass | 1220.582598 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Wjf56fDhxl |
|---|---|
| Name | MIRABILIN_LACTONE |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H92O27 |
| InChI | InChI=1S/C58H92O27/c1-53(2)30-9-12-56(5)31(8-7-23-24-15-54(3)13-14-58(24,22-78-52(54)74)32(62)16-57(23,56)6)55(30,4)11-10-33(53)83-50-45(85-49-44(73)40(69)36(65)27(18-60)80-49)38(67)29(21-77-50)82-51-46(84-48-42(71)34(63)25(61)19-75-48)41(70)37(66)28(81-51)20-76-47-43(72)39(68)35(64)26(17-59)79-47/h7,24-51,59-73H,8-22H2,1-6H3/t24?,25-,26-,27-,28-,29+,30?,31?,32-,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,54+,55+,56-,57-,58-/m1/s1 |
| InChIKey | MMQDKDDIGRODID-RIYHKBRNSA-N |
| Literature Reference Author | I.CALIS,A.YURUKER,N.TANKER,A.D.WRIGHT,O.STICHER |
| Literature Reference Citation | PLANTA.MED.,63,166(1997) |
| Literature Reference DOI | 10.1055/s-2006-957637 |
| Molecular Weight | 1221.352 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP916 |