![4'-O-Methylbutin-7-O-[(6'",1''')-3"'.11"'-dimethyl-7"'-(hydroxymethylene)dodecanyl]-.beta.-glucopyranoside](/api/spectrum/2vWTYnVlfXO/structure.png?h=300&w=458 "4'-O-Methylbutin-7-O-[(6'\",1''')-3\"'.11\"'-dimethyl-7\"'-(hydroxymethylene)dodecanyl]-.beta.-glucopyranoside")
| SpectraBase Compound ID | D6TbSCZ8QcA |
|---|---|
| InChI | InChI=1S/C37H52O12/c1-21(2)7-5-6-8-23(19-38)10-9-22(3)15-33(41)46-20-32-34(42)35(43)36(44)37(49-32)47-25-12-13-26-27(39)18-30(48-31(26)17-25)24-11-14-29(45-4)28(40)16-24/h11-14,16-17,21-23,30,32,34-38,40,42-44H,5-10,15,18-20H2,1-4H3/t22?,23?,30-,32-,34-,35+,36-,37-/m1/s1 |
| InChIKey | PNAHLDHFKFCWPI-PETABJSQSA-N |
| Mol Weight | 688.8 g/mol |
| Molecular Formula | C37H52O12 |
| Exact Mass | 688.345877 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2vWTYnVlfXO |
|---|---|
| Name | 4'-O-Methylbutin-7-O-[(6'",1''')-3"'.11"'-dimethyl-7"'-(hydroxymethylene)dodecanyl]-.beta.-glucopyranoside |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H52O12 |
| InChI | InChI=1S/C37H52O12/c1-21(2)7-5-6-8-23(19-38)10-9-22(3)15-33(41)46-20-32-34(42)35(43)36(44)37(49-32)47-25-12-13-26-27(39)18-30(48-31(26)17-25)24-11-14-29(45-4)28(40)16-24/h11-14,16-17,21-23,30,32,34-38,40,42-44H,5-10,15,18-20H2,1-4H3/t22?,23?,30-,32-,34-,35+,36-,37-/m1/s1 |
| InChIKey | PNAHLDHFKFCWPI-PETABJSQSA-N |
| Molecular Weight | 688.811 g/mol |
| SMILES | O[C@@]1([C@](O[C@]([C@@]([C@]1(O)[H])(O)[H])(Oc1cc2O[C@@](c3cc(O)c(cc3)OC)(CC(c2cc1)=O)[H])[H])(COC(=O)CC(CCC(CO)CCCCC(C)C)C)[H])[H] |
| SPLASH | splash10-0ab9-9520000000-b5bee2d3efaa1fc2d853 |
| Source of Spectrum | G4-72-619-4 |
| Wiley ID | 1702066 |