| SpectraBase Compound ID | 5vfj5YJyIij |
|---|---|
| InChI | InChI=1S/C71H104O28/c1-33-51(89-37(5)74)55(92-40(8)77)59(94-42(10)79)63(85-33)97-54-47(88-36(4)73)32-84-62(57(54)93-41(9)78)98-56-52(90-38(6)75)34(2)86-64(60(56)95-43(11)80)99-58-53(91-39(7)76)46(87-35(3)72)31-83-61(58)96-50-23-24-68(16)48(67(50,14)15)22-25-70(18)49(68)21-20-44-45-30-66(12,13)26-28-71(45,65(81)82-19)29-27-69(44,70)17/h20,33-34,45-64H,21-32H2,1-19H3/t33-,34-,45?,46+,47+,48?,49?,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61-,62-,63-,64-,68?,69?,70?,71-/m0/s1 |
| InChIKey | VYXDSEWFGCKIIY-FJADDOBASA-N |
| Mol Weight | 1405.6 g/mol |
| Molecular Formula | C71H104O28 |
| Exact Mass | 1404.671413 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4gCYOsPJwH |
|---|---|
| Name | PROSAPOGENIN-A-3-PERACETYLATED |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H104O28 |
| InChI | InChI=1S/C71H104O28/c1-33-51(89-37(5)74)55(92-40(8)77)59(94-42(10)79)63(85-33)97-54-47(88-36(4)73)32-84-62(57(54)93-41(9)78)98-56-52(90-38(6)75)34(2)86-64(60(56)95-43(11)80)99-58-53(91-39(7)76)46(87-35(3)72)31-83-61(58)96-50-23-24-68(16)48(67(50,14)15)22-25-70(18)49(68)21-20-44-45-30-66(12,13)26-28-71(45,65(81)82-19)29-27-69(44,70)17/h20,33-34,45-64H,21-32H2,1-19H3/t33-,34-,45?,46+,47+,48?,49?,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61-,62-,63-,64-,68?,69?,70?,71-/m0/s1 |
| InChIKey | VYXDSEWFGCKIIY-FJADDOBASA-N |
| Literature Reference Author | W.G.MA,D.Z.WANG,Y.L.ZENG,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,30,3401(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)83217-9 |
| Molecular Weight | 1405.590 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI23344 |