| SpectraBase Compound ID | 7c2xJzpNQRO |
|---|---|
| InChI | InChI=1S/C32H48O5/c1-19(2)10-9-11-20(3)22-12-15-30-26(34)37-31(17-16-28(22,30)7)29(8)14-13-24(35-21(4)33)27(5,6)23(29)18-25-32(30,31)36-25/h10,20,22-25H,9,11-18H2,1-8H3/t20-,22-,23+,24+,25+,28-,29+,30+,31+,32-/m1/s1 |
| InChIKey | ARIYDHPFKKSGTK-ZDOGGIKISA-N |
| Mol Weight | 512.7 g/mol |
| Molecular Formula | C32H48O5 |
| Exact Mass | 512.350175 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1VY8CzJzLLg |
|---|---|
| Name | 3.beta.-Acetoxy-7.beta.,8.beta.-epoxy-5.alpha.-lanost-24-en-30,9.alpha.-olide |
| Appearance | White, amorphous powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H48O5 |
| InChI | InChI=1S/C32H48O5/c1-19(2)10-9-11-20(3)22-12-15-30-26(34)37-31(17-16-28(22,30)7)29(8)14-13-24(35-21(4)33)27(5,6)23(29)18-25-32(30,31)36-25/h10,20,22-25H,9,11-18H2,1-8H3/t20-,22-,23+,24+,25+,28-,29+,30+,31+,32-/m1/s1 |
| InChIKey | ARIYDHPFKKSGTK-ZDOGGIKISA-N |
| Instrument Name | AMD-604 S |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np400388x |
| Molecular Weight | 512.731 g/mol |
| Optical Rotation | [a]D27 =-29.6 (c = 0.23, CHCl3) |
| Reported Formula | C32H48O5 |
| SMILES | C1C[C@]2([C@](C([C@]1(OC(C)=O)[H])(C)C)(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-9301100000-4f9a5f63b22974f7c5eb |
| Source of Spectrum | G4-76-1751-3 |
| Wiley ID | 1865770 |