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

CAS Registry Number®

126006-69-7

CAS Name

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

Molecular Formula

C23H32O7

Molecular Mass

420.50

Cite this Page

Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aR,3R,4S,4aR,7aS,7bR)-decahydro-2a,4-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=126006-69-7 (retrieved 2025-01-07) (CAS RN: 126006-69-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    241-244 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C23H32O7/c1-11-5-12(25)6-16(26)18(11)20(28)30-17-9-22(4)14-8-21(2,3)7-13(14)19(27)15(10-24)23(17,22)29/h5-6,13-15,17,19,24-27,29H,7-10H2,1-4H3/t13-,14+,15-,17-,19+,22-,23+/m1/s1

InChIKey

InChIKey=JUUSWGGXNLLISZ-XUCZPFGZSA-N

SMILES

O[C@@]12[C@@](C)([C@@]3([C@]([C@H](O)[C@H]1CO)(CC(C)(C)C3)[H])[H])C[C@H]2OC(=O)C4=C(C)C=C(O)C=C4O

Canonical SMILES

O=C(OC1CC2(C)C3CC(C)(C)CC3C(O)C(CO)C12O)C=4C(O)=CC(O)=CC4C

Other Names for this Substance

  • Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aR,3R,4S,4aR,7aS,7bR)-decahydro-2a,4-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester
  • Benzoic acid, 2,4-dihydroxy-6-methyl-, decahydro-2a,4-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, [2R-(2α,2aβ,3β,4α,4aα,7aα,7bβ)]-
  • 1H-Cyclobut[e]indene, benzoic acid deriv.
  • Armillane
  • Armillarizin

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