| SpectraBase Compound ID | KVgM98TlXTx |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-19(10-9-14-26(2,3)33)20-13-15-30(8)25-23(31)18-22-21(11-12-24(32)27(22,4)5)28(25,6)16-17-29(20,30)7/h9,14,18-21,23-25,31-33H,10-13,15-17H2,1-8H3/b14-9+/t19-,20-,21?,23+,24+,25?,28+,29-,30+/m1/s1 |
| InChIKey | FDINJVUVNVFMKX-ZXPNWVKOSA-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 | L8PSO9RlJIe |
|---|---|
| Name | Cucurbita-5,23(E)-diene-3.beta.,7.beta.,25-triol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-19(10-9-14-26(2,3)33)20-13-15-30(8)25-23(31)18-22-21(11-12-24(32)27(22,4)5)28(25,6)16-17-29(20,30)7/h9,14,18-21,23-25,31-33H,10-13,15-17H2,1-8H3/b14-9+/t19-,20-,21?,23+,24+,25?,28+,29-,30+/m1/s1 |
| InChIKey | FDINJVUVNVFMKX-ZXPNWVKOSA-N |
| Molecular Weight | 458.727 g/mol |
| SMILES | OC(\C=C\C[C@]([C@@]1([C@@]2([C@](C3[C@](C4C(=C[C@@]3(O)[H])C([C@](CC4)(O)[H])(C)C)(CC2)C)(CC1)C)C)[H])(C)[H])(C)C |
| SPLASH | splash10-05a9-1904400000-695962c765b507f99c49 |
| Source of Spectrum | G4-71-1329-1 |
| Wiley ID | 1714054 |