| SpectraBase Spectrum ID |
KQ9N2uVy14d |
| Name |
1,3-Benzodioxole-5-carboxylic acid, hexahydro-5,7-dihydroxy-2,2-dimethyl-, [3aR-(3a.alpha.,5.beta.,7.alpha.,8a.alpha.)]- |
| CAS Registry Number |
130474-38-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H16O6 |
| InChI |
InChI=1S/C10H16O6/c1-9(2)15-6-4-10(14,8(12)13)3-5(11)7(6)16-9/h5-7,11,14H,3-4H2,1-2H3,(H,12,13)/t5-,6-,7?,10+/m1/s1 |
| InChIKey |
FSYNTADRQIJFGW-FPCPGNLUSA-N |
| Molecular Weight |
232.232 g/mol |
| SMILES |
O[C@]1(C2OC(O[C@@]2(C[C@@](C1)(C(=O)O)O)[H])(C)C)[H] |
| SPLASH |
splash10-0006-9200000000-48129a780617d39022b5 |
| Source of Spectrum |
F-46-4146-8 |
| Synonyms |
(1R,3R,4S,5R)-1-carboxyl-3,4-O,O'-isopropylidene-1,3,4,5-tetrahydroxycyclohexane
(3aR,5S,7R)-5,7-dihydroxy-2,2-dimethylhexahydro-1,3-benzodioxole-5-carboxylic acid |
| Wiley ID |
1233335 |
![1,3-Benzodioxole-5-carboxylic acid, hexahydro-5,7-dihydroxy-2,2-dimethyl-, [3aR-(3a.alpha.,5.beta.,7.alpha.,8a.alpha.)]-](/api/spectrum/KQ9N2uVy14d/structure.png?h=300&w=458 "1,3-Benzodioxole-5-carboxylic acid, hexahydro-5,7-dihydroxy-2,2-dimethyl-, [3aR-(3a.alpha.,5.beta.,7.alpha.,8a.alpha.)]-")
