| SpectraBase Compound ID | 6t5iH24yePK |
|---|---|
| InChI | InChI=1S/C28H46O11/c1-11-15(6)26(34)39-23-20(30)19(21(22(31)28(23,10)36)38-25(33)14(4)5)16(7)17(37-24(32)13(2)3)12-18(29)27(8,9)35/h11,13-14,17-23,29-31,35-36H,7,12H2,1-6,8-10H3/b15-11+/t17-,18+,19?,20+,21+,22+,23+,28+/m1/s1 |
| InChIKey | CANQQDYQTZSHHA-RNXKSEFGSA-N |
| Mol Weight | 558.7 g/mol |
| Molecular Formula | C28H46O11 |
| Exact Mass | 558.304012 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3EbQnCfrmaQ |
|---|---|
| Name | 2.beta.-(Angeloyl)-5.alpha.,8-diisobutyryl-1.beta.,3.alpha.,4.alpha.,10,11-pentahydroxy-Bisabolene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O11 |
| InChI | InChI=1S/C28H46O11/c1-11-15(6)26(34)39-23-20(30)19(21(22(31)28(23,10)36)38-25(33)14(4)5)16(7)17(37-24(32)13(2)3)12-18(29)27(8,9)35/h11,13-14,17-23,29-31,35-36H,7,12H2,1-6,8-10H3/b15-11+/t17-,18+,19?,20+,21+,22+,23+,28+/m1/s1 |
| InChIKey | CANQQDYQTZSHHA-RNXKSEFGSA-N |
| Molecular Weight | 558.665 g/mol |
| SMILES | O[C@]1([C@](C([C@@]([C@@]([C@]1(O)C)(OC(\C(=C\C)C)=O)[H])(O)[H])C([C@](OC(=O)C(C)C)(C[C@@](C(O)(C)C)(O)[H])[H])=C)(OC(=O)C(C)C)[H])[H] |
| SPLASH | splash10-0089-9100000000-add58adcc6b6a255acd9 |
| Source of Spectrum | G4-59-1118-1 |
| Wiley ID | 1606570 |