| SpectraBase Compound ID | KtQQlmJNAsF |
|---|---|
| InChI | InChI=1S/C29H48O2/c1-18(2)19(3)7-8-20(4)22-10-11-27(6)25-16-24(31)23-15-21(30)9-12-28(23)17-29(25,28)14-13-26(22,27)5/h18,20-25,30-31H,3,7-17H2,1-2,4-6H3/t20-,21+,22-,23-,24+,25+,26-,27+,28-,29+/m1/s1 |
| InChIKey | FLFAKBJFVNSCHC-HFOFPBCXSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C29H48O2 |
| Exact Mass | 428.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4tIlvR0ozRp |
|---|---|
| Name | Roxburghiadiol B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O2 |
| InChI | InChI=1S/C29H48O2/c1-18(2)19(3)7-8-20(4)22-10-11-27(6)25-16-24(31)23-15-21(30)9-12-28(23)17-29(25,28)14-13-26(22,27)5/h18,20-25,30-31H,3,7-17H2,1-2,4-6H3/t20-,21+,22-,23-,24+,25+,26-,27+,28-,29+/m1/s1 |
| InChIKey | FLFAKBJFVNSCHC-HFOFPBCXSA-N |
| Molecular Weight | 428.701 g/mol |
| SMILES | O[C@@]1(C[C@]2([C@@]3([C@]4([C@@](C[C@@]2(O)[H])([C@@]2(CC[C@@]([C@]2(CC4)C)([C@@](CCC(=C)C(C)C)(C)[H])[H])C)[H])C3)CC1)[H])[H] |
| SPLASH | splash10-0002-7669300000-bbf10104a46580941f2a |
| Source of Spectrum | G4-61-1489-11 |
| Wiley ID | 1607556 |