![3',4'-di-O-Methylbutin-7-O-[(6'",1''')-3"'.11"'-dimethyl-7"'-methylenedodeca-3"',10"'-dienyl]-.beta.-glucopyranoside](/api/spectrum/B08JbB9Sy48/structure.png?h=300&w=458 "3',4'-di-O-Methylbutin-7-O-[(6'\",1''')-3\"'.11\"'-dimethyl-7\"'-methylenedodeca-3\"',10\"'-dienyl]-.beta.-glucopyranoside")
| SpectraBase Compound ID | Jqk3QzUDAQT |
|---|---|
| InChI | InChI=1S/C38H48O11/c1-22(2)9-7-8-10-23(3)11-12-24(4)17-34(40)46-21-33-35(41)36(42)37(43)38(49-33)47-26-14-15-27-28(39)20-30(48-31(27)19-26)25-13-16-29(44-5)32(18-25)45-6/h9,12-16,18-19,30,33,35-38,41-43H,3,7-8,10-11,17,20-21H2,1-2,4-6H3/b24-12+/t30-,33-,35-,36+,37-,38-/m1/s1 |
| InChIKey | OXJCDXQQKHANKK-ZKFQXLBASA-N |
| Mol Weight | 680.8 g/mol |
| Molecular Formula | C38H48O11 |
| Exact Mass | 680.319662 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B08JbB9Sy48 |
|---|---|
| Name | 3',4'-di-O-Methylbutin-7-O-[(6'",1''')-3"'.11"'-dimethyl-7"'-methylenedodeca-3"',10"'-dienyl]-.beta.-glucopyranoside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H48O11 |
| InChI | InChI=1S/C38H48O11/c1-22(2)9-7-8-10-23(3)11-12-24(4)17-34(40)46-21-33-35(41)36(42)37(43)38(49-33)47-26-14-15-27-28(39)20-30(48-31(27)19-26)25-13-16-29(44-5)32(18-25)45-6/h9,12-16,18-19,30,33,35-38,41-43H,3,7-8,10-11,17,20-21H2,1-2,4-6H3/b24-12+/t30-,33-,35-,36+,37-,38-/m1/s1 |
| InChIKey | OXJCDXQQKHANKK-ZKFQXLBASA-N |
| Molecular Weight | 680.791 g/mol |
| SMILES | O[C@@]1([C@](O[C@]([C@@]([C@]1(O)[H])(O)[H])(Oc1cc2O[C@@](c3cc(OC)c(cc3)OC)(CC(c2cc1)=O)[H])[H])(COC(=O)C\C(=C\CC(=C)CCCC=C(C)C)C)[H])[H] |
| SPLASH | splash10-0api-8950000000-d0c18e28eca100404051 |
| Source of Spectrum | G4-72-619-3 |
| Wiley ID | 1702067 |