Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, (2R,2aS,4aR,7R,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester
CAS Registry Number®
101901-56-8
CAS Name
Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, (2R,2aS,4aR,7R,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl esterMolecular Formula
C24H32O8Molecular Mass
448.51Cite this Page
Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, (2R,2aS,4aR,7R,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=101901-56-8 (retrieved ) (CAS RN: 101901-56-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H32O8/c1-12-6-14(31-5)7-15(26)17(12)20(28)32-16-9-22(4)18-19(27)21(2,3)11-23(18,29)8-13(10-25)24(16,22)30/h6-8,16,18-19,25-27,29-30H,9-11H2,1-5H3/t16-,18-,19-,22-,23+,24+/m1/s1
InChIKey
InChIKey=XXMVVKDVYBWXPQ-QSNWBFGMSA-N
SMILES
O[C@@]12[C@@](C)([C@@]3([C@](O)(C=C1CO)CC(C)(C)[C@@H]3O)[H])C[C@H]2OC(=O)C4=C(C)C=C(OC)C=C4O
Canonical SMILES
O=C(OC1CC2(C)C3C(O)C(C)(C)CC3(O)C=C(CO)C12O)C4=C(O)C=C(OC)C=C4C
Other Names for this Substance
- Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, (2R,2aS,4aR,7R,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester
- Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, [2R-(2α,2aβ,4aα,7β,7aα,7bβ)]-
- 1H-Cyclobut[e]indene, benzoic acid deriv.
- Melleolide C