| SpectraBase Compound ID | 9z80DbJWXpR |
|---|---|
| InChI | InChI=1S/C76H108O34/c1-35(78)90-29-48-57(98-40(6)83)61(102-44(10)87)65(109-67-62(103-45(11)88)58(99-41(7)84)47(31-93-67)95-37(3)80)68(105-48)106-50-32-92-66(63(59(50)100-42(8)85)110-69-64(104-46(12)89)60(101-43(9)86)56(97-39(5)82)49(107-69)30-91-36(2)79)108-54-21-22-72(16)51(70(54,13)14)19-23-73(17)52(72)20-24-76-53-27-71(15,33-77)25-26-75(53,34-94-76)55(96-38(4)81)28-74(73,76)18/h33,47-69H,19-32,34H2,1-18H3/t47-,48-,49-,50+,51?,52?,53+,54+,55-,56-,57-,58+,59+,60+,61+,62-,63-,64-,65-,66+,67+,68+,69+,71+,72+,73-,74+,75-,76+/m1/s1 |
| InChIKey | SQWLIBMLRNKNKI-VSSMANFYSA-N |
| Mol Weight | 1565.7 g/mol |
| Molecular Formula | C76H108O34 |
| Exact Mass | 1564.672201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KxPbdl6Mr80 |
|---|---|
| Name | DEGLUCOCYClAMIN_DODECAACETATE |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H108O34 |
| InChI | InChI=1S/C76H108O34/c1-35(78)90-29-48-57(98-40(6)83)61(102-44(10)87)65(109-67-62(103-45(11)88)58(99-41(7)84)47(31-93-67)95-37(3)80)68(105-48)106-50-32-92-66(63(59(50)100-42(8)85)110-69-64(104-46(12)89)60(101-43(9)86)56(97-39(5)82)49(107-69)30-91-36(2)79)108-54-21-22-72(16)51(70(54,13)14)19-23-73(17)52(72)20-24-76-53-27-71(15,33-77)25-26-75(53,34-94-76)55(96-38(4)81)28-74(73,76)18/h33,47-69H,19-32,34H2,1-18H3/t47-,48-,49-,50+,51?,52?,53+,54+,55-,56-,57-,58+,59+,60+,61+,62-,63-,64-,65-,66+,67+,68+,69+,71+,72+,73-,74+,75-,76+/m1/s1 |
| InChIKey | SQWLIBMLRNKNKI-VSSMANFYSA-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 | 1565.673 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP914 |