![4-Hydroxy-4-(7,7-dimethylbicyclo[3.1.1]hept-2-en-2yl)-3-methylbutyl 2,3,4,6-o-tetrapivaloyl-.beta.-glucopyranoside isomer](/api/spectrum/4vNa6uTgWdx/structure.png?h=300&w=458 "4-Hydroxy-4-(7,7-dimethylbicyclo[3.1.1]hept-2-en-2yl)-3-methylbutyl 2,3,4,6-o-tetrapivaloyl-.beta.-glucopyranoside isomer")
| SpectraBase Compound ID | HvC4lmMGUS0 |
|---|---|
| InChI | InChI=1S/C40H66O11/c1-22(27(41)24-17-16-23-20-25(24)40(23,14)15)18-19-46-31-30(51-35(45)39(11,12)13)29(50-34(44)38(8,9)10)28(49-33(43)37(5,6)7)26(48-31)21-47-32(42)36(2,3)4/h17,22-23,25-31,41H,16,18-21H2,1-15H3/t22?,23?,25?,26-,27?,28-,29+,30-,31-/m1/s1 |
| InChIKey | NYNAVDXYVFEPLT-ASCDVZBLSA-N |
| Mol Weight | 723.0 g/mol |
| Molecular Formula | C40H66O11 |
| Exact Mass | 722.460513 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4vNa6uTgWdx |
|---|---|
| Name | 4-Hydroxy-4-(7,7-dimethylbicyclo[3.1.1]hept-2-en-2yl)-3-methylbutyl 2,3,4,6-O-Tetrapivaloyl-.beta.-glucopyranoside isomer |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H66O11 |
| InChI | InChI=1S/C40H66O11/c1-22(27(41)24-17-16-23-20-25(24)40(23,14)15)18-19-46-31-30(51-35(45)39(11,12)13)29(50-34(44)38(8,9)10)28(49-33(43)37(5,6)7)26(48-31)21-47-32(42)36(2,3)4/h17,22-23,25-31,41H,16,18-21H2,1-15H3/t22?,23?,25?,26-,27?,28-,29+,30-,31-/m1/s1 |
| InChIKey | NYNAVDXYVFEPLT-ASCDVZBLSA-N |
| Molecular Weight | 722.957 g/mol |
| SMILES | OC(C=1C2C(C(CC1)C2)(C)C)C(CCO[C@]1([C@@]([C@]([C@@]([C@@](COC(C(C)(C)C)=O)(O1)[H])(OC(C(C)(C)C)=O)[H])(OC(C(C)(C)C)=O)[H])(OC(C(C)(C)C)=O)[H])[H])C |
| SPLASH | splash10-0a4i-9000000000-b1130db8b26f315ea8a1 |
| Source of Spectrum | F-53-16104-12 |
| Wiley ID | 804423 |