| SpectraBase Compound ID | 9q7Nst7tUJZ |
|---|---|
| InChI | InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h19-20,22,24-25,27-28,31H,5,8-18H2,1-4,6-7H3/t20-,22+,24-,25?,27?,28+,29-,30+/m1/s1 |
| InChIKey | CVZFQTIJNREPCP-PLZVZQRJSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C30H50O |
| Exact Mass | 426.386166 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JhzkdFMjHsC |
|---|---|
| Name | Theonellasterol |
| CAS Registry Number | 76758-19-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h19-20,22,24-25,27-28,31H,5,8-18H2,1-4,6-7H3/t20-,22+,24-,25?,27?,28+,29-,30+/m1/s1 |
| InChIKey | CVZFQTIJNREPCP-PLZVZQRJSA-N |
| Molecular Weight | 426.729 g/mol |
| SMILES | O[C@@]1(C(C2CCC3=C4[C@@]([C@@]([C@@](CC[C@@](C(C)C)(CC)[H])(C)[H])(CC4)[H])(CCC3[C@]2(CC1)C)C)=C)[H] |
| SPLASH | splash10-056r-0010900000-b86ee81fea49cbfd02fc |
| Source of Spectrum | J-46-1839-0 |
| Wiley ID | 1380234 |