Aromaticin

CAS Registry Number®

5945-42-6

CAS Name

Aromaticin

Molecular Formula

C15H18O3

Molecular Mass

246.30

Cite this Page

Aromaticin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5945-42-6 (retrieved 2024-12-22) (CAS RN: 5945-42-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    232-234 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H18O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h4-5,8,10-12H,2,6-7H2,1,3H3/t8-,10-,11+,12+,15+/m1/s1

InChIKey

InChIKey=OSSDUQKWVVZIGP-SCGWIAOYSA-N

SMILES

C[C@@]12[C@]([C@H](C)C[C@]3([C@](C1)(C(=C)C(=O)O3)[H])[H])(C=CC2=O)[H]

Canonical SMILES

O=C1OC2CC(C)C3C=CC(=O)C3(C)CC2C1=C

Other Names for this Substance

  • Azuleno[6,5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4a,8-dimethyl-3-methylene-, (3aR,4aS,7aR,8R,9aS)-
  • Ambrosa-2,11(13)-dien-12-oic acid, 8α-hydroxy-4-oxo-, γ-lactone
  • Azuleno[6,5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4a,8-dimethyl-3-methylene-, [3aR-(3aα,4aβ,7aα,8α,9aβ)]-
  • 5-Azuleneacetic acid, 3,3a,4,5α,6,7,8,8aα-octahydro-6α-hydroxy-3aβ,8α-dimethyl-α-methylene-3-oxo-, γ-lactone
  • (3aR,4aS,7aR,8R,9aS)-3,3a,4,4a,7a,8,9,9a-Octahydro-4a,8-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione

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Deleted or Replaced CAS Registry Numbers

886025-33-8, 887774-39-2

CAS INSIGHTSTM
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