Sucrose, 6-[4-(1-hydroxy-1-methylethyl)-1-cyclohexene-1-carboxylate]

CAS Registry Number®

17651-05-7

CAS Name

Sucrose, 6-[4-(1-hydroxy-1-methylethyl)-1-cyclohexene-1-carboxylate]

Molecular Formula

C22H36O13

Molecular Mass

508.51

Cite this Page

Sucrose, 6-[4-(1-hydroxy-1-methylethyl)-1-cyclohexene-1-carboxylate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17651-05-7 (retrieved 2024-11-22) (CAS RN: 17651-05-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H36O13/c1-21(2,31)11-5-3-10(4-6-11)19(30)32-8-13-14(25)16(27)17(28)20(33-13)35-22(9-24)18(29)15(26)12(7-23)34-22/h3,11-18,20,23-29,31H,4-9H2,1-2H3/t11?,12-,13-,14-,15-,16+,17-,18+,20-,22+/m1/s1

InChIKey

InChIKey=NRXDBALRMKOHET-QWENIEMVSA-N

SMILES

O([C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@H]2O[C@H](COC(=O)C=3CCC(C(C)(C)O)CC3)[C@@H](O)[C@H](O)[C@H]2O

Canonical SMILES

O=C(OCC1OC(OC2(OC(CO)C(O)C2O)CO)C(O)C(O)C1O)C3=CCC(CC3)C(O)(C)C

Other Names for this Substance

  • Sucrose, 6-[4-(1-hydroxy-1-methylethyl)-1-cyclohexene-1-carboxylate]
  • 1-Cyclohexene-1-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-, 6-ester with sucrose

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