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

CAS Registry Number®

135247-97-1
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CAS Name

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

Molecular Formula

C23H28O5

Molecular Mass

384.47

Cite this Page

Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aR,4aS,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, rel-(+)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=135247-97-1 (retrieved 2024-09-20) (CAS RN: 135247-97-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    176-181 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C23H28O5/c1-12-5-15(25)7-17(26)19(12)21(27)28-18-10-23(4)16-9-22(2,3)8-13(16)6-14(11-24)20(18)23/h5-7,11,13,16,18,20,25-26H,8-10H2,1-4H3/t13-,16+,18-,20-,23-/s2

InChIKey

InChIKey=NFCOJBIECSQMAM-QISUVUFUNA-N

SMILES

C[C@]12[C@]([C@@H](OC(=O)C3=C(C)C=C(O)C=C3O)C1)(C(C=O)=C[C@@]4([C@]2(CC(C)(C)C4)[H])[H])[H]

Canonical SMILES

O=CC1=CC2CC(C)(C)CC2C3(C)CC(OC(=O)C=4C(O)=CC(O)=CC4C)C13

Other Names for this Substance

  • Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aR,4aS,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, rel-(+)-
  • Benzoic acid, 2,4-dihydroxy-6-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, (2α,2aβ,4aα,7aα,7bβ)-(+)-
  • Armillarivin