| SpectraBase Compound ID | FJrDwfs5NLz |
|---|---|
| InChI | InChI=1S/C32H44O16/c1-42-19-10-15(5-6-18(19)36)28-17(16-8-14(4-3-7-33)9-20(43-2)29(16)47-28)13-44-32-30(26(40)24(38)22(12-35)46-32)48-31-27(41)25(39)23(37)21(11-34)45-31/h5-6,8-10,17,21-28,30-41H,3-4,7,11-13H2,1-2H3/t17-,21-,22-,23-,24-,25+,26+,27-,28+,30-,31+,32-/m0/s1 |
| InChIKey | INZHQWZGBAGQGW-SIWUATCBSA-N |
| Mol Weight | 684.7 g/mol |
| Molecular Formula | C32H44O16 |
| Exact Mass | 684.262935 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DyRg4yPLjnU |
|---|---|
| Name | SAPOSIDE-B;(2S,3R)-DIHYDRODEHYDRO-CONIFERYL-ALCOHOL-3A-O-BETA-SOPHOROSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44O16 |
| InChI | InChI=1S/C32H44O16/c1-42-19-10-15(5-6-18(19)36)28-17(16-8-14(4-3-7-33)9-20(43-2)29(16)47-28)13-44-32-30(26(40)24(38)22(12-35)46-32)48-31-27(41)25(39)23(37)21(11-34)45-31/h5-6,8-10,17,21-28,30-41H,3-4,7,11-13H2,1-2H3/t17-,21-,22-,23-,24-,25+,26+,27-,28+,30-,31+,32-/m0/s1 |
| InChIKey | INZHQWZGBAGQGW-SIWUATCBSA-N |
| Literature Reference Author | K.YOSHIKAWA,S.TANI,C.BABA,T.HASHIMOTO |
| Literature Reference Citation | MOLECULES,18,9641(2013) |
| Literature Reference DOI | 10.3390/molecules18089641 |
| Molecular Weight | 684.692 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWIR9113 |