| SpectraBase Compound ID | 4S3yf4H3ED4 |
|---|---|
| InChI | InChI=1S/C29H42O9/c1-14-8-23(31)29(34)25(36-14)37-20-10-16-4-5-18-17(26(16,2)12-21(20)38-29)6-7-27(3)19(11-22(30)28(18,27)33)15-9-24(32)35-13-15/h9,14,16-23,25,30-31,33-34H,4-8,10-13H2,1-3H3/t14-,16+,17+,18-,19-,20-,21-,22-,23-,25+,26+,27-,28-,29+/m1/s1 |
| InChIKey | HNOFNBVWCFKUEQ-YBZLEAOFSA-N |
| Mol Weight | 534.6 g/mol |
| Molecular Formula | C29H42O9 |
| Exact Mass | 534.282883 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4TEZe0ecZYw |
|---|---|
| Name | Afroside |
| CAS Registry Number | 29010-26-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H42O9 |
| InChI | InChI=1S/C29H42O9/c1-14-8-23(31)29(34)25(36-14)37-20-10-16-4-5-18-17(26(16,2)12-21(20)38-29)6-7-27(3)19(11-22(30)28(18,27)33)15-9-24(32)35-13-15/h9,14,16-23,25,30-31,33-34H,4-8,10-13H2,1-3H3/t14-,16+,17+,18-,19-,20-,21-,22-,23-,25+,26+,27-,28-,29+/m1/s1 |
| InChIKey | HNOFNBVWCFKUEQ-YBZLEAOFSA-N |
| Molecular Weight | 534.646 g/mol |
| SMILES | O[C@]1([C@@]2([C@]3([C@@]([C@]4(C[C@@]5([C@](O[C@]6([C@@](O5)([C@@](C[C@](O6)(C)[H])(O)[H])O)[H])(C[C@@]4(CC3)[H])[H])[H])C)(CC[C@@]2([C@](C1)(C1=CC(=O)OC1)[H])C)[H])[H])O)[H] |
| SPLASH | splash10-004i-0900000000-66b8b2144f89c8f38440 |
| Source of Spectrum | KC-1988-1856-5 |
| Wiley ID | 1403823 |