| SpectraBase Spectrum ID |
BN5DIBfqPXM |
| Name |
1,2-Benzenediol, 3-[(3S)-3,4-dihydro-8-methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo[1,2-B:3,4-B']dipyran-3-yl]-6-methoxy- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.209324061 u |
| Formula |
C26H30O5 |
| InChI |
InChI=1S/C26H30O5/c1-16(2)6-5-12-26(3)13-11-20-21(31-26)9-7-17-14-18(15-30-25(17)20)19-8-10-22(29-4)24(28)23(19)27/h6-11,13,18,27-28H,5,12,14-15H2,1-4H3 |
| InChIKey |
GRHKVSQNMXZXME-UHFFFAOYSA-N |
| Molecular Weight |
422.521 g/mol |
| SMILES |
C1(=C(C=CC(=C1O)C1COC=2C(C1)=CC=C1C2C=CC(O1)(CCC=C(C)C)C)OC)O |
![1,2-Benzenediol, 3-[(3S)-3,4-dihydro-8-methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo[1,2-B:3,4-B']dipyran-3-yl]-6-methoxy-](/api/spectrum/BN5DIBfqPXM/structure.png?h=300&w=458 "1,2-Benzenediol, 3-[(3S)-3,4-dihydro-8-methyl-8-(4-methyl-3-pentenyl)-2H,8H-benzo[1,2-B:3,4-B']dipyran-3-yl]-6-methoxy-")
