| SpectraBase Spectrum ID |
H6wl59k1ZCq |
| Name |
1,4,4A,4B,5,6,10,10A-Octahydro-10A.beta-acetoxymethyl-2-methoxycarbonyl-4B.beta.,8-dimethyl-1.alpha.-vinylphenanthrene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.214409442 u |
| Formula |
C23H30O4 |
| InChI |
InChI=1S/C23H30O4/c1-15-7-5-13-23(3)20(15)11-9-18-17(8-6-14-27-16(2)24)19(22(25)26-4)10-12-21(18)23/h6-8,10-11,17-18,21H,5,9,12-14H2,1-4H3/b8-6+/t17-,18?,21?,23+/m1/s1 |
| InChIKey |
NXMSBTVFKIZDKC-KULVUEQESA-N |
| Molecular Weight |
370.489 g/mol |
| SMILES |
[C@]12(C(=CCC3C2CC=C(C(=O)OC)[C@@]3(\C=C\COC(=O)C)[H])C(C)=CCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824987 |
