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 ester

Molecular Formula

C24H32O8

Molecular Mass

448.51

Cite 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 2024-11-24) (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

CAS INSIGHTSTM
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