| SpectraBase Compound ID | BdUJ1yweezf |
|---|---|
| InChI | InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h11,20-25,31H,9-10,12-18H2,1-8H3/t20-,21?,22?,23?,24+,25?,27-,28+,29-,30-/m1/s1 |
| InChIKey | NGFFRJBGMSPDMS-VPUBHQHASA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C30H50O |
| Exact Mass | 426.386166 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 784Fa8LuHqf |
|---|---|
| Name | Pseudotaraxasterol;(18-alpha,19-alpha-urs-20-en-3-beta-ol) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.386166229 u |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h11,20-25,31H,9-10,12-18H2,1-8H3/t20-,21?,22?,23?,24+,25?,27-,28+,29-,30-/m1/s1 |
| InChIKey | NGFFRJBGMSPDMS-VPUBHQHASA-N |
| Molecular Weight | 426.729 g/mol |
| SMILES | [C@]1(O)(C(C2[C@@](C3[C@]([C@]4(C(C5[C@@](C(C)=CC[C@@]5(CC4)C)(C)[H])CC3)C)(CC2)C)(CC1)C)(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908385 |