| SpectraBase Compound ID | 4RaWzFSDMjp |
|---|---|
| InChI | InChI=1S/C32H42O18/c1-3-15-16(17(29(43)44-2)13-46-30(15)50-32-28(42)26(40)24(38)21(12-34)49-32)8-9-45-22(36)7-5-14-4-6-19(18(35)10-14)47-31-27(41)25(39)23(37)20(11-33)48-31/h3-7,10,13,15-16,20-21,23-28,30-35,37-42H,1,8-9,11-12H2,2H3/b7-5+/t15-,16+,20-,21+,23-,24+,25+,26-,27-,28+,30+,31-,32-/m1/s1 |
| InChIKey | FOZNQZYEHFCGGD-IUMLADHSSA-N |
| Mol Weight | 714.7 g/mol |
| Molecular Formula | C32H42O18 |
| Exact Mass | 714.237114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JypmPw1f365 |
|---|---|
| Name | PICROGENTIOSIDE-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H42O18 |
| InChI | InChI=1S/C32H42O18/c1-3-15-16(17(29(43)44-2)13-46-30(15)50-32-28(42)26(40)24(38)21(12-34)49-32)8-9-45-22(36)7-5-14-4-6-19(18(35)10-14)47-31-27(41)25(39)23(37)20(11-33)48-31/h3-7,10,13,15-16,20-21,23-28,30-35,37-42H,1,8-9,11-12H2,2H3/b7-5+/t15-,16+,20-,21+,23-,24+,25+,26-,27-,28+,30+,31-,32-/m1/s1 |
| InChIKey | FOZNQZYEHFCGGD-IUMLADHSSA-N |
| Literature Reference Author | L.C.ZOU,T.F.ZHU,H.XIANG,L.YU,Z.H.YAN,S.C.GAN,D.C.WANG,S.ZENG ,X.M.DENG |
| Literature Reference Citation | MOLECULES,13,2049(2008) |
| Literature Reference DOI | 10.3390/molecules13092049 |
| Molecular Weight | 714.675 g/mol |
| Sample ID | 56869 |
| Solvent | DMSO-D6 |