| SpectraBase Compound ID | 1jv1OzjfFmp |
|---|---|
| InChI | InChI=1S/C30H48O12/c1-12-16(6)28(36)42-24-22(33)21(17(7)19(32)13-20(29(9,10)37)40-26(34)14(2)3)23(41-27(35)15(4)5)25(30(24,11)38)39-18(8)31/h12,14-15,19-25,32-33,37-38H,7,13H2,1-6,8-11H3/b16-12+/t19-,20?,21?,22+,23+,24+,25+,30-/m1/s1 |
| InChIKey | BUDAGGCDYODQJC-ZDDGPKNVSA-N |
| Mol Weight | 600.7 g/mol |
| Molecular Formula | C30H48O12 |
| Exact Mass | 600.314577 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2Ar1K8CGJp4 |
|---|---|
| Name | 4.alpha.-Acetyl-2.beta.-angeloyl-5.alpha.,10-diisobutyryl-1.beta.,3.alpha.,8,11-tetrahydroxy-Bisabolene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O12 |
| InChI | InChI=1S/C30H48O12/c1-12-16(6)28(36)42-24-22(33)21(17(7)19(32)13-20(29(9,10)37)40-26(34)14(2)3)23(41-27(35)15(4)5)25(30(24,11)38)39-18(8)31/h12,14-15,19-25,32-33,37-38H,7,13H2,1-6,8-11H3/b16-12+/t19-,20?,21?,22+,23+,24+,25+,30-/m1/s1 |
| InChIKey | BUDAGGCDYODQJC-ZDDGPKNVSA-N |
| Molecular Weight | 600.702 g/mol |
| SMILES | O[C@]1(C(C([C@@](CC(OC(=O)C(C)C)C(O)(C)C)(O)[H])=C)[C@@]([C@@]([C@@]([C@]1(OC(\C(=C\C)C)=O)[H])(O)C)(OC(=O)C)[H])(OC(=O)C(C)C)[H])[H] |
| SPLASH | splash10-001i-9221410000-9db871f6f738aa4aad74 |
| Source of Spectrum | G4-59-1118-2 |
| Wiley ID | 1606569 |