| SpectraBase Spectrum ID |
DJ4kBKQJGXO |
| Name |
(3ar,4as,8ar,9ar)-Decahydro-8A-methyl-5-methylidene-3-[(undecylamino)methyl]naphtho[2,3-B]furan-2(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.345029691 u |
| Formula |
C26H45NO2 |
| InChI |
InChI=1S/C26H45NO2/c1-4-5-6-7-8-9-10-11-12-16-27-19-22-21-17-23-20(2)14-13-15-26(23,3)18-24(21)29-25(22)28/h21-24,27H,2,4-19H2,1,3H3/t21-,22?,23+,24-,26-/m1/s1 |
| InChIKey |
CHGVJYWHLNNPGV-XFPYIDMSSA-N |
| Molecular Weight |
403.651 g/mol |
| SMILES |
C=C1CCC[C@@]2(C[C@]3([H])[C@]([H])(C[C@@]12[H])C(CNCCCCCCCCCCC)C(=O)O3)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91363 |
![(3ar,4as,8ar,9ar)-Decahydro-8A-methyl-5-methylidene-3-[(undecylamino)methyl]naphtho[2,3-B]furan-2(3H)-one](/api/spectrum/DJ4kBKQJGXO/structure.png?h=300&w=458 "(3ar,4as,8ar,9ar)-Decahydro-8A-methyl-5-methylidene-3-[(undecylamino)methyl]naphtho[2,3-B]furan-2(3H)-one")
