| SpectraBase Compound ID | 2IRzsGzASot |
|---|---|
| InChI | 1S/C29H44O6/c1-16(30)34-19-13-22-28(6)12-9-20-26(3,4)10-8-11-27(20,5)21(28)14-23(32)29(22,7)24-18(19)15-33-25(24)35-17(2)31/h15,19-25,32H,8-14H2,1-7H3/t19-,20-,21+,22-,23+,24+,25-,27-,28+,29+/m0/s1 |
| InChIKey | VYIQDOVNWPEWRJ-JVQIYTTCSA-N |
| Mol Weight | 488.7 g/mol |
| Molecular Formula | C29H44O6 |
| Exact Mass | 488.313789 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KX1jL7SEXao |
|---|---|
| Name | Heteronemin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 488.313789131 u |
| Formula | C29H44O6 |
| InChI | InChI=1S/C29H44O6/c1-16(30)34-19-13-22-28(6)12-9-20-26(3,4)10-8-11-27(20,5)21(28)14-23(32)29(22,7)24-18(19)15-33-25(24)35-17(2)31/h15,19-25,32H,8-14H2,1-7H3/t19-,20-,21+,22-,23+,24+,25-,27-,28+,29+/m0/s1 |
| InChIKey | VYIQDOVNWPEWRJ-JVQIYTTCSA-N |
| Molecular Weight | 488.665 g/mol |
| SMILES | [C@@]1(OC=C2[C@](C[C@@]3([C@@]([C@@]12[H])([C@@](C[C@@]1([C@@]2([C@@](CC[C@@]31C)(C(CCC2)(C)C)[H])C)[H])(O)[H])C)[H])(OC(=O)C)[H])(OC(=O)C)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.927809 |