Bigelovin

CAS Registry Number®

3668-14-2
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CAS Name

Bigelovin

Molecular Formula

C17H20O5

Molecular Mass

304.34

Cite this Page

Bigelovin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3668-14-2 (retrieved 2024-05-15) (CAS RN: 3668-14-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    180-182 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12+,14-,15+,17+/m1/s1

InChIKey

InChIKey=DCNRYQODUSSOKC-MMLVVLEOSA-N

SMILES

O(C(C)=O)[C@@H]1[C@@]2(C)[C@]([C@H](C)C[C@]3([C@]1(C(=C)C(=O)O3)[H])[H])(C=CC2=O)[H]

Canonical SMILES

O=C1OC2CC(C)C3C=CC(=O)C3(C)C(OC(=O)C)C2C1=C

Other Names for this Substance

  • Azuleno[6,5-b]furan-2,5-dione, 4-(acetyloxy)-3,3a,4,4a,7a,8,9,9a-octahydro-4a,8-dimethyl-3-methylene-, (3aR,4S,4aR,7aR,8R,9aS)-
  • Ambrosa-2,11(13)-dien-12-oic acid, 6α,8α-dihydroxy-4-oxo-, 12,8-lactone, acetate
  • Bigelovin
  • Azuleno[6,5-b]furan-2,5-dione, 4-(acetyloxy)-3,3a,4,4a,7a,8,9,9a-octahydro-4a,8-dimethyl-3-methylene-, [3aR-(3aα,4α,4aβ,7aα,8α,9aβ)]-
  • (3aR,4S,4aR,7aR,8R,9aS)-4-(Acetyloxy)-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

48191-72-6

CAS INSIGHTSTM
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