| SpectraBase Compound ID | 77eK0kqbgjB |
|---|---|
| InChI | InChI=1S/C72H104O30/c1-34(73)85-30-48-55(90-39(6)78)58(92-41(8)80)61(94-43(10)82)65(98-48)101-57-50(32-87-36(3)75)97-64(63(96-45(12)84)60(57)102-66-62(95-44(11)83)59(93-42(9)81)56(91-40(7)79)49(99-66)31-86-35(2)74)100-53-23-24-69(16)51(70(53,17)33-88-37(4)76)22-25-72(19)52(69)21-20-46-47-28-67(13,14)29-54(89-38(5)77)68(47,15)26-27-71(46,72)18/h20,47-66H,21-33H2,1-19H3/t47?,48-,49+,50-,51?,52?,53+,54-,55-,56+,57+,58+,59-,60+,61-,62+,63-,64?,65+,66-,68-,69+,70-,71-,72-/m1/s1 |
| InChIKey | GPINRFMHGSHMOY-DPLMOTLESA-N |
| Mol Weight | 1449.6 g/mol |
| Molecular Formula | C72H104O30 |
| Exact Mass | 1448.661242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G6by11MqQzT |
|---|---|
| Name | PHASEOLUSIDE-A-DODECAACETATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H104O30 |
| InChI | InChI=1S/C72H104O30/c1-34(73)85-30-48-55(90-39(6)78)58(92-41(8)80)61(94-43(10)82)65(98-48)101-57-50(32-87-36(3)75)97-64(63(96-45(12)84)60(57)102-66-62(95-44(11)83)59(93-42(9)81)56(91-40(7)79)49(99-66)31-86-35(2)74)100-53-23-24-69(16)51(70(53,17)33-88-37(4)76)22-25-72(19)52(69)21-20-46-47-28-67(13,14)29-54(89-38(5)77)68(47,15)26-27-71(46,72)18/h20,47-66H,21-33H2,1-19H3/t47?,48-,49+,50-,51?,52?,53+,54-,55-,56+,57+,58+,59-,60+,61-,62+,63-,64?,65+,66-,68-,69+,70-,71-,72-/m1/s1 |
| InChIKey | GPINRFMHGSHMOY-DPLMOTLESA-N |
| Literature Reference Author | D.C.JAIN,P.K.AGRAWAL,R.S.THAKUR |
| Literature Reference Citation | PLANTA.MED.,57,94(1991) |
| Literature Reference DOI | 10.1055/s-2006-960036 |
| Molecular Weight | 1449.600 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP83 |