| SpectraBase Compound ID | 95dfo4YYiSR |
|---|---|
| InChI | InChI=1S/C29H46O3/c1-7-18(2)8-9-19(3)24-12-13-25-23-11-10-21-16-22(32-20(4)30)14-15-28(21,5)26(23)17-27(31)29(24,25)6/h17-19,21-25H,7-16H2,1-6H3/t18-,19-,21?,22-,23+,24-,25+,28+,29-/m1/s1 |
| InChIKey | GOASLHIZPUPAFB-RGQJTOBFSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C29H46O3 |
| Exact Mass | 442.344695 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HGktL0zYe0E |
|---|---|
| Name | 26-Norergost-9(11)-en-12-one, 3-(acetyloxy)-, (3.alpha.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.344695338 u |
| Formula | C29H46O3 |
| InChI | InChI=1S/C29H46O3/c1-7-18(2)8-9-19(3)24-12-13-25-23-11-10-21-16-22(32-20(4)30)14-15-28(21,5)26(23)17-27(31)29(24,25)6/h17-19,21-25H,7-16H2,1-6H3/t18-,19-,21?,22-,23+,24-,25+,28+,29-/m1/s1 |
| InChIKey | GOASLHIZPUPAFB-RGQJTOBFSA-N |
| Molecular Weight | 442.684 g/mol |
| SMILES | [C@@]1(CC[C@]2(C(C1)CC[C@@]1(C2=CC(=O)[C@]2([C@]1(CC[C@@]2([C@@](CC[C@@](CC)(C)[H])(C)[H])[H])[H])C)[H])C)(OC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831151 |