| SpectraBase Compound ID | DCbLBcFMwzw |
|---|---|
| InChI | InChI=1S/C29H42O4/c1-17(2)8-7-9-18(3)20-10-13-27-24(31)33-28(15-14-25(20,27)5)26(6)12-11-22(30)19(4)21(26)16-23-29(27,28)32-23/h8,18-21,23H,7,9-16H2,1-6H3/t18-,19+,20-,21+,23+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | JFOQUYRXHWENJD-LTNZZSCCSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C29H42O4 |
| Exact Mass | 454.30831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 68R1L1j46tZ |
|---|---|
| Name | 29-Nor-3-oxo-7.beta.,8.beta.-epoxy-5.alpha.-lanost-24-en-30,9.alpha.-olide |
| Appearance | Colorless crystals |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H42O4 |
| InChI | InChI=1S/C29H42O4/c1-17(2)8-7-9-18(3)20-10-13-27-24(31)33-28(15-14-25(20,27)5)26(6)12-11-22(30)19(4)21(26)16-23-29(27,28)32-23/h8,18-21,23H,7,9-16H2,1-6H3/t18-,19+,20-,21+,23+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | JFOQUYRXHWENJD-LTNZZSCCSA-N |
| Instrument Name | AMD-604 S |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np400388x |
| Molecular Weight | 454.651 g/mol |
| Optical Rotation | [a]D27 = -43.6 (c = 0.55, CHCl3) |
| Reported Formula | C29H42O4 |
| SMILES | C1C[C@]2([C@]([C@@](C1=O)(C)[H])(C[C@]1([C@@]3([C@]22CC[C@]4([C@]3(CC[C@@]4([C@@](CCC=C(C)C)(C)[H])[H])C(O2)=O)C)O1)[H])[H])C |
| SPLASH | splash10-0aou-9433200000-7f4c14055e2182ef2643 |
| Source of Spectrum | G4-76-1751-2 |
| Wiley ID | 1865769 |