Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aS,4aS,7R,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-octahydro-2a,7-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester

CAS Registry Number®

117258-73-8
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CAS Name

Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aS,4aS,7R,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-octahydro-2a,7-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester

Molecular Formula

C23H30O7

Molecular Mass

418.48

Cite this Page

Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aS,4aS,7R,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-octahydro-2a,7-dihydroxy-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=117258-73-8 (retrieved 2024-09-20) (CAS RN: 117258-73-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    144-146 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C23H30O7/c1-11-5-14(25)7-15(26)17(11)20(28)30-16-9-22(4)18-12(8-21(2,3)19(18)27)6-13(10-24)23(16,22)29/h5-7,12,16,18-19,24-27,29H,8-10H2,1-4H3/t12-,16-,18-,19-,22-,23+/m1/s1

InChIKey

InChIKey=SWVWDNGFQHDELB-METLCYJQSA-N

SMILES

O[C@@]12[C@@](C)([C@@]3([C@](C=C1CO)(CC(C)(C)[C@@H]3O)[H])[H])C[C@H]2OC(=O)C4=C(C)C=C(O)C=C4O

Canonical SMILES

O=C(OC1CC2(C)C3C(O)C(C)(C)CC3C=C(CO)C12O)C=4C(O)=CC(O)=CC4C

Other Names for this Substance

  • Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aS,4aS,7R,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-octahydro-2a,7-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester
  • Benzoic acid, 2,4-dihydroxy-6-methyl-, 2,2a,4a,5,6,7,7a,7b-octahydro-2a,7-dihydroxy-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 E