PAEONIANIN-B
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 8npkAPUyuNb |
|---|---|
| InChI | InChI=1S/C75H54O47/c76-23-1-15(2-24(77)45(23)89)66(104)114-14-36-61(117-67(105)16-3-25(78)46(90)26(79)4-16)64(65(121-68(106)17-5-27(80)47(91)28(81)6-17)75(115-36)122-69(107)18-7-29(82)48(92)30(83)8-18)120-73(111)22-12-34(87)52(96)56(100)40(22)43-42-44-41(57(101)59(103)58(42)102)39-21(11-33(86)51(95)55(39)99)72(110)119-63(62(43)118-74(44)112)60-35(88)13-113-70(108)19-9-31(84)49(93)53(97)37(19)38-20(71(109)116-60)10-32(85)50(94)54(38)98/h1-12,35-36,43,60-65,75-103H,13-14H2/t35-,36+,43+,60-,61+,62+,63+,64-,65+,75-/m0/s1 |
| InChIKey | KFIHFPLZTIQCAL-LVYIFPGISA-N |
| Mol Weight | 1707.2 g/mol |
| Molecular Formula | C75H54O47 |
| Exact Mass | 1706.183539 g/mol |
| Enantiomer InChIKey | KFIHFPLZTIQCAL-VCEXJXCLSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | ACETONE-D6:D2O |
| Title | Journal or Book | Year |
|---|---|---|
| Paeonianins A−E, New Dimeric and Monomeric Ellagitannins from the Fruits of Paeonia lactiflora | Journal of Natural Products | 2003 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.