| SpectraBase Spectrum ID |
BGZfDygNnxw |
| Name |
4H-Cyclopenta[4,5]pyrano[3,2-C][1]benzopyran, 1,2,3,3A,3B,9B,11,11A-octahydro-7-methoxy-11A-methyl-, (3A.alpha.,3B.beta.,9B.beta.,11A.alpha.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.156894565 u |
| Formula |
C17H22O3 |
| InChI |
InChI=1S/C17H22O3/c1-17-7-3-4-14(17)13-9-19-15-8-11(18-2)5-6-12(15)16(13)20-10-17/h5-6,8,13-14,16H,3-4,7,9-10H2,1-2H3/t13-,14-,16-,17+/m0/s1 |
| InChIKey |
HGHXXCXERIIAQY-NXNVCVFFSA-N |
| Molecular Weight |
274.360 g/mol |
| SMILES |
[C@]12([C@]([C@@]3(CCC[C@@]3(CO2)C)[H])(COC=2C1=CC=C(OC)C2)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94424 |
![4H-Cyclopenta[4,5]pyrano[3,2-c][1]benzopyran, 1,2,3,3a,3b,9b,11,11a-octahydro-7-methoxy-11a-methyl-, (3a.alpha.,3b.beta.,9b.beta.,11a.alpha.)-(.+-.)-](/api/spectrum/BGZfDygNnxw/structure.png?h=300&w=458 "4H-Cyclopenta[4,5]pyrano[3,2-c][1]benzopyran, 1,2,3,3a,3b,9b,11,11a-octahydro-7-methoxy-11a-methyl-, (3a.alpha.,3b.beta.,9b.beta.,11a.alpha.)-(.+-.)-")
