| SpectraBase Spectrum ID |
GpxEr4bDHNG |
| Name |
(2S,4as)-2-Hydroxy-6-methoxy-1,1,4A-trimethyl-7-propan-2-yl-3,4,10,10A-tetrahydro-2H-phenanthren-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.219494823 u |
| Formula |
C21H30O3 |
| InChI |
InChI=1S/C21H30O3/c1-12(2)13-9-14-15(10-17(13)24-6)21(5)8-7-19(23)20(3,4)18(21)11-16(14)22/h9-10,12,18-19,23H,7-8,11H2,1-6H3/t18?,19-,21+/m0/s1 |
| InChIKey |
LHADBTRIIHOXKT-IZOREMLJSA-N |
| Molecular Weight |
330.468 g/mol |
| SMILES |
C=1(OC)C=C2[C@]3(CC[C@@](C(C3CC(C2=CC1C(C)C)=O)(C)C)(O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83431 |
