| SpectraBase Spectrum ID |
3irilrY5pss |
| Name |
(3aS,4R,7aR)-4-hydroxy-6-(hydroxymethyl)-5-spiro[4,7a-dihydro-3aH-1,3-benzodioxole-2,1'-cyclohexane]one |
| Alternate Name(s) |
(3aS,4R,7aR)-4-hydroxy-6-(hydroxymethyl)spiro[4,7a-dihydro-3aH-1,3-benzodioxole-2,1'-cyclohexane]-5-one
(3aS,4R,7aR)-4-hydroxy-6-methylol-spiro[4,7a-dihydro-3aH-1,3-benzodioxole-2,1'-cyclohexane]-5-one
(3aS,4R,7aR)-6-(hydroxymethyl)-4-oxidanyl-spiro[4,7a-dihydro-3aH-1,3-benzodioxole-2,1'-cyclohexane]-5-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O5 |
| InChI |
InChI=1S/C13H18O5/c14-7-8-6-9-12(11(16)10(8)15)18-13(17-9)4-2-1-3-5-13/h6,9,11-12,14,16H,1-5,7H2/t9-,11+,12-/m1/s1 |
| InChIKey |
JBXPILQUUBFFST-ADEWGFFLSA-N |
| Molecular Weight |
254.282 g/mol |
| SMILES |
OCC1=C[C@@]2([C@]([C@](C1=O)(O)[H])(OC1(O2)CCCCC1)[H])[H] |
| SPLASH |
splash10-0a4i-9030000000-914abf1f5fccc49831d5 |
| Source of Spectrum |
AT-41-2034-9 |
| Wiley ID |
854791 |
![(3aS,4R,7aR)-4-hydroxy-6-(hydroxymethyl)-5-spiro[4,7a-dihydro-3aH-1,3-benzodioxole-2,1'-cyclohexane]one](/api/spectrum/3irilrY5pss/structure.png?h=300&w=458 "(3aS,4R,7aR)-4-hydroxy-6-(hydroxymethyl)-5-spiro[4,7a-dihydro-3aH-1,3-benzodioxole-2,1'-cyclohexane]one")
