| SpectraBase Spectrum ID |
2WwxpPVLnh2 |
| Name |
(1S,4as,6S,7S,10Ar)-6-hydroxy-1,4A,7-trimethyl-7-vinyl-3,4,5,6,8,9,10,10A-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.235144887 u |
| Formula |
C21H32O3 |
| InChI |
InChI=1S/C21H32O3/c1-6-19(2)13-14-8-9-16-20(3,15(14)12-17(19)22)10-7-11-21(16,4)18(23)24-5/h6,16-17,22H,1,7-13H2,2-5H3/t16-,17+,19-,20-,21+/m1/s1 |
| InChIKey |
XBMXOPQBLGZKQK-ZVXZJYCBSA-N |
| Molecular Weight |
332.484 g/mol |
| SMILES |
C=12[C@@]3([C@@]([C@](C(=O)OC)(C)CCC3)([H])CCC1C[C@]([C@](C2)(O)[H])(C=C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920483 |
