| SpectraBase Spectrum ID |
LH6yUnThXUn |
| Name |
(3aS,4R,6R,7S,7aS)-4-(methoxymethyl)-6-methyl-6,7-bis(oxidanyl)-4,5,7,7a-tetrahydro-3aH-1-benzofuran-3-one |
| Alternate Name(s) |
(3aS,4R,6R,7S,7aS)-6,7-dihydroxy-4-(methoxymethyl)-6-methyl-4,5,7,7a-tetrahydro-3aH-1-benzofuran-3-one
(3aS,4R,6R,7S,7aS)-6,7-dihydroxy-4-(methoxymethyl)-6-methyl-4,5,7,7a-tetrahydro-3aH-benzofuran-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H18O5 |
| InChI |
InChI=1S/C11H18O5/c1-11(14)3-6(4-15-2)8-7(12)5-16-9(8)10(11)13/h6,8-10,13-14H,3-5H2,1-2H3/t6-,8+,9-,10-,11+/m0/s1 |
| InChIKey |
SZFREEYAOYLHKM-RPQMDJCFSA-N |
| Molecular Weight |
230.260 g/mol |
| SMILES |
O[C@@]1([C@@](C[C@]([C@]2([C@@]1(OCC2=O)[H])[H])(COC)[H])(O)C)[H] |
| SPLASH |
splash10-03di-0090000000-b3d69a9fe0dacb3cc7a3 |
| Source of Spectrum |
J-67-835-19 |
| Wiley ID |
1569062 |
