| SpectraBase Compound ID | A55VlLUBdrU |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-17(2)19-15-21(32)25-28(19,6)13-14-29(7)24-18(9-12-30(25,29)8)27(5)11-10-23(33)26(3,4)22(27)16-20(24)31/h9,17,19-25,31-33H,10-16H2,1-8H3/t19-,20-,21+,22?,23-,24?,25?,27+,28-,29-,30+/m0/s1 |
| InChIKey | PZBGHZIQCYOWLL-OKFYDXJZSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F9SlJkmmKG8 |
|---|---|
| Name | Rubianol-h |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-17(2)19-15-21(32)25-28(19,6)13-14-29(7)24-18(9-12-30(25,29)8)27(5)11-10-23(33)26(3,4)22(27)16-20(24)31/h9,17,19-25,31-33H,10-16H2,1-8H3/t19-,20-,21+,22?,23-,24?,25?,27+,28-,29-,30+/m0/s1 |
| InChIKey | PZBGHZIQCYOWLL-OKFYDXJZSA-N |
| Molecular Weight | 458.727 g/mol |
| SMILES | O[C@@]1(C(C2[C@@](C=3C([C@](C2)(O)[H])[C@]2([C@](CC3)(C3[C@@](CC2)([C@@](C[C@]3(O)[H])(C(C)C)[H])C)C)C)(CC1)C)(C)C)[H] |
| SPLASH | splash10-0006-0000900000-7021b4e4059d72a96210 |
| Source of Spectrum | E2-51-660-1 |
| Wiley ID | 1556169 |