[(2R,2aS,4aS,7R,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-Octahydro-2,2a,7-trihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-3-yl]methyl 2,4-dihydroxy-6-methylbenzoate

CAS Registry Number®

189342-41-4

CAS Name

[(2R,2aS,4aS,7R,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-Octahydro-2,2a,7-trihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-3-yl]methyl 2,4-dihydroxy-6-methylbenzoate

Molecular Formula

C23H30O7

Molecular Mass

418.48

Cite this Page

[(2R,2aS,4aS,7R,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-Octahydro-2,2a,7-trihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-3-yl]methyl 2,4-dihydroxy-6-methylbenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=189342-41-4 (retrieved 2024-11-05) (CAS RN: 189342-41-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=OEBGQVIRXPDBGY-METLCYJQSA-N

SMILES

C[C@]12[C@](O)(C(COC(=O)C3=C(C)C=C(O)C=C3O)=C[C@]4([C@@]1([C@@H](O)C(C)(C)C4)[H])[H])[C@H](O)C2

Canonical SMILES

O=C(OCC1=CC2CC(C)(C)C(O)C2C3(C)CC(O)C13O)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-2,2a,7-trihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-3-yl]methyl ester
  • Benzoic acid, 2,4-dihydroxy-6-methyl-, (2,2a,4a,5,6,7,7a,7b-octahydro-2,2a,7-trihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-3-yl)methyl ester, (2α,2aβ,4aα,7β,7aα,7bβ)-(-)-
  • [(2R,2aS,4aS,7R,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-Octahydro-2,2a,7-trihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-3-yl]methyl 2,4-dihydroxy-6-methylbenzoate
  • 5β,10α-Dihydroxy-1-orsellinate-dihydromelleolide

CAS INSIGHTSTM
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