| SpectraBase Compound ID | 8AAEnqJqsHU |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-20-21(32)8-9-22-27(20,4)11-10-23-28(22,5)15-17-30(7)24-18-25(2,19-31)12-13-26(24,3)14-16-29(23,30)6/h20,22-24,31H,8-19H2,1-7H3/t20-,22+,23-,24+,25-,26+,27+,28-,29+,30-/m0/s1 |
| InChIKey | NAOCHKKFDYTOII-PGBIMCFUSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3tVC8B3qwC |
|---|---|
| Name | D:A-Friedooleanan-3-one, 29-hydroxy-, (20.beta.)- |
| CAS Registry Number | 50465-25-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-20-21(32)8-9-22-27(20,4)11-10-23-28(22,5)15-17-30(7)24-18-25(2,19-31)12-13-26(24,3)14-16-29(23,30)6/h20,22-24,31H,8-19H2,1-7H3/t20-,22+,23-,24+,25-,26+,27+,28-,29+,30-/m0/s1 |
| InChIKey | NAOCHKKFDYTOII-PGBIMCFUSA-N |
| Molecular Weight | 442.728 g/mol |
| SMILES | OC[C@@]1(C[C@]2([C@]3([C@@]([C@@]4([C@@]([C@]5([C@]([C@@](C)(C(CC5)=O)[H])(C)CC4)[H])(C)CC3)[H])(CC[C@]2(CC1)C)C)C)[H])C |
| SPLASH | splash10-022i-0890500000-59cc0c47a4330393c9a8 |
| Source of Spectrum | KC-1977-422-0 |
| Synonyms | (20alpha)-29-hydroxyoleanan-3-one 3-Oxofriedelan-29-ol Octandronol |
| Wiley ID | 1385571 |