| SpectraBase Compound ID | A7mHEFGfa6h |
|---|---|
| InChI | InChI=1S/C37H62O8/c1-21(2)23(5)11-18-37(9,42)25-13-17-36(8)30(25)27(45-33-32(41)31(40)26(38)20-44-33)19-28-34(6,15-14-29(39)43-10)24(22(3)4)12-16-35(28,36)7/h21,24-28,30-33,38,40-42H,3,5,11-20H2,1-2,4,6-10H3/t24-,25-,26-,27+,28+,30-,31+,32-,33+,34-,35+,36+,37?/m0/s1 |
| InChIKey | FSHSSFILCCBENK-UKUUDKGVSA-N |
| Mol Weight | 634.9 g/mol |
| Molecular Formula | C37H62O8 |
| Exact Mass | 634.444469 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KdY9Zr521rQ |
|---|---|
| Name | ALNUSTIC-ACID-12-O-BETA-D-XYLOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H62O8 |
| InChI | InChI=1S/C37H62O8/c1-21(2)23(5)11-18-37(9,42)25-13-17-36(8)30(25)27(45-33-32(41)31(40)26(38)20-44-33)19-28-34(6,15-14-29(39)43-10)24(22(3)4)12-16-35(28,36)7/h21,24-28,30-33,38,40-42H,3,5,11-20H2,1-2,4,6-10H3/t24-,25-,26-,27+,28+,30-,31+,32-,33+,34-,35+,36+,37?/m0/s1 |
| InChIKey | FSHSSFILCCBENK-UKUUDKGVSA-N |
| Literature Reference Author | H.FUCHINO,T.SATOH,J.HIDA,M.TERADA,N.TANAKA |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1051(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1051 |
| Molecular Weight | 634.894 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS6553 |