| SpectraBase Spectrum ID |
7eAurkNmsYP |
| Name |
1,3-Benzodioxole-5-acetic acid, 6-[tetrahydro-2,2-dimethyl-5-(2-propenylidene)-4H-cyclopenta-1,3-dioxol-4-yl]-, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester, (3a.alpha.,4.alpha.,5E,6a.alph a.)-(.+-.)- |
| CAS Registry Number |
113668-85-2 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H32O8 |
| InChI |
InChI=1S/C25H32O8/c1-5-6-15-7-20-23(33-24(2,3)32-20)22(15)17-10-19-18(30-14-31-19)8-16(17)9-21(28)29-13-25(4,11-26)12-27/h5-6,8,10,20,22-23,26-27H,1,7,9,11-14H2,2-4H3/b15-6+/t20-,22+,23-/m0/s1 |
| InChIKey |
QBNRDYREKSDEQB-OIKZUZAJSA-N |
| Molecular Weight |
460.523 g/mol |
| SMILES |
OCC(CO)(COC(Cc1c([C@@]2([C@@]3([C@](OC(O3)(C)C)([H])C\C2=C\C=C)[H])[H])cc2c(OCO2)c1)=O)C |
| SPLASH |
splash10-001i-0090400000-e1f8552c518be53a00da |
| Source of Spectrum |
C-112-9607-26 |
| Synonyms |
4H-Cyclopenta-1,3-dioxole, 1,3-benzodioxole-5-acetic acid deriv.
(3a.alpha.,4.alpha.,5E,6a.alpha.)-(+-)-5-[[[3-hydroxy-2-(hydroxymethyl)-2-methyl-propyloxy]carbonyl]methyl]-6-[tetrahydro-2,2-dimethyl-5-(2-propenylidene)-4H-cyclopenta-1,3-dioxol-4-yl]-1,3-benzodioxole
3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl {6-[(3aR,4R,5E,6aS)-2,2-dimethyl-5-(2-propenylidene)tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-1,3-benzodioxol-5-yl}acetate |
| Wiley ID |
1390482 |
![1,3-Benzodioxole-5-acetic acid, 6-[tetrahydro-2,2-dimethyl-5-(2-propenylidene)-4H-cyclopenta-1,3-dioxol-4-yl]-, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester, (3a.alpha.,4.alpha.,5E,6a.alph a.)-(.+-.)-](/api/spectrum/7eAurkNmsYP/structure.png?h=300&w=458 "1,3-Benzodioxole-5-acetic acid, 6-[tetrahydro-2,2-dimethyl-5-(2-propenylidene)-4H-cyclopenta-1,3-dioxol-4-yl]-, 3-hydroxy-2-(hydroxymethyl)-2-methylpropyl ester, (3a.alpha.,4.alpha.,5E,6a.alph a.)-(.+-.)-")
