| SpectraBase Compound ID | HbRs8WrxKbK |
|---|---|
| InChI | InChI=1S/C29H46O/c1-25(2)14-10-19-11-16-28(6)21(20(19)18-25)8-9-23-27(5)15-13-24(30)26(3,4)22(27)12-17-29(23,28)7/h8,19-20,22-23H,9-18H2,1-7H3/t19?,20-,22-,23+,27-,28+,29+/m0/s1 |
| InChIKey | QQKXTWZLGUEVGX-COIPAKFFSA-N |
| Mol Weight | 410.7 g/mol |
| Molecular Formula | C29H46O |
| Exact Mass | 410.354866 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J1GL0xBlOTE |
|---|---|
| Name | nor - beta - Amyrone3 - oxo - 28 - nor - olean - 12 - ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.354866100 u |
| Formula | C29H46O |
| InChI | InChI=1S/C29H46O/c1-25(2)14-10-19-11-16-28(6)21(20(19)18-25)8-9-23-27(5)15-13-24(30)26(3,4)22(27)12-17-29(23,28)7/h8,19-20,22-23H,9-18H2,1-7H3/t19?,20-,22-,23+,27-,28+,29+/m0/s1 |
| InChIKey | QQKXTWZLGUEVGX-COIPAKFFSA-N |
| Molecular Weight | 410.686 g/mol |
| SMILES | [C@@]12([C@]3([C@]([C@@]4([C@@](C(C(=O)CC4)(C)C)([H])CC3)C)([H])CC=C1[C@]1(CC(CCC1CC2)(C)C)[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906565 |