| SpectraBase Compound ID | FtP9PzopMrO |
|---|---|
| InChI | InChI=1S/C28H46O12/c1-11-16(6)23(33)39-20-19(30)18(17(7)12-38-21(31)14(2)3)28(24(34)26(20,10)36,40-22(32)15(4)5)27(37,13-29)25(8,9)35/h11,14-15,18-20,24,29-30,34-37H,7,12-13H2,1-6,8-10H3/b16-11+/t18-,19-,20-,24+,26+,27-,28-/m0/s1 |
| InChIKey | GXMDGDRXAFFMCJ-KBSPTQCLSA-N |
| Mol Weight | 574.7 g/mol |
| Molecular Formula | C28H46O12 |
| Exact Mass | 574.298927 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 71acnfGijqP |
|---|---|
| Name | 4.alpha.-Acetyl-2.beta.-angeloyl-5.alpha.,8-diisobutyryl-1.beta.,3.alpha.,10,11-tetrahydroxy-Bisabolene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O12 |
| InChI | InChI=1S/C28H46O12/c1-11-16(6)23(33)39-20-19(30)18(17(7)12-38-21(31)14(2)3)28(24(34)26(20,10)36,40-22(32)15(4)5)27(37,13-29)25(8,9)35/h11,14-15,18-20,24,29-30,34-37H,7,12-13H2,1-6,8-10H3/b16-11+/t18-,19-,20-,24+,26+,27-,28-/m0/s1 |
| InChIKey | GXMDGDRXAFFMCJ-KBSPTQCLSA-N |
| Molecular Weight | 574.664 g/mol |
| SMILES | O[C@]1([C@@]([C@@]([C@](CO)(C(O)(C)C)O)([C@@]([C@@]([C@]1(OC(\C(=C\C)C)=O)[H])(O)C)(O)[H])OC(=O)C(C)C)(C(COC(=O)C(C)C)=C)[H])[H] |
| SPLASH | splash10-00e9-9100000000-5a64d339e09921290a61 |
| Source of Spectrum | G4-59-1118-4 |
| Wiley ID | 1606567 |