rel-(2R,2aS,4aS,7R,7aS,7bR)-3-Formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,7-dihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate
CAS Registry Number®
298702-67-7
CAS Name
rel-(2R,2aS,4aS,7R,7aS,7bR)-3-Formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,7-dihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoateMolecular Formula
C23H27ClO7Molecular Mass
450.91Cite this Page
rel-(2R,2aS,4aS,7R,7aS,7bR)-3-Formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,7-dihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=298702-67-7 (retrieved ) (CAS RN: 298702-67-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1/C23H27ClO7/c1-10-16(13(26)6-14(27)18(10)24)20(29)31-15-8-22(4)17-11(7-21(2,3)19(17)28)5-12(9-25)23(15,22)30/h5-6,9,11,15,17,19,26-28,30H,7-8H2,1-4H3/t11-,15-,17-,19-,22-,23+/s2
InChIKey
InChIKey=QXPGYRDUXBYJHG-DPRARKAGNA-N
SMILES
O[C@@]12[C@@](C)([C@@]3([C@](C=C1C=O)(CC(C)(C)[C@@H]3O)[H])[H])C[C@H]2OC(=O)C4=C(C)C(Cl)=C(O)C=C4O
Canonical SMILES
O=CC1=CC2CC(C)(C)C(O)C2C3(C)CC(OC(=O)C=4C(O)=CC(O)=C(Cl)C4C)C13O
Other Names for this Substance
- Benzoic acid, 3-chloro-4,6-dihydroxy-2-methyl-, (2R,2aS,4aS,7R,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,7-dihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, rel-
- rel-(2R,2aS,4aS,7R,7aS,7bR)-3-Formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,7-dihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl 3-chloro-4,6-dihydroxy-2-methylbenzoate