Isotenulin

CAS Registry Number®

10092-04-3

CAS Name

Isotenulin

Molecular Formula

C17H22O5

Molecular Mass

306.35

Cite this Page

Isotenulin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10092-04-3 (retrieved 2024-11-22) (CAS RN: 10092-04-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    158-162 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C17H22O5/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/h5-6,8-9,11-12,14-15H,7H2,1-4H3/t8-,9-,11+,12+,14-,15-,17+/m1/s1

InChIKey

InChIKey=NEIIKBWBBCJSQU-PUYFHLGZSA-N

SMILES

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

Canonical SMILES

O=C(OC1C2C(OC(=O)C2C)CC(C)C3C=CC(=O)C13C)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-3,4a,8-trimethyl-, (3R,3aR,4R,4aR,7aR,8R,9aS)-
  • Ambros-2-en-12-oic acid, 6β,8α-dihydroxy-4-oxo-, 12,8-lactone, acetate, (11R)-
  • Isotenulin
  • Azuleno[6,5-b]furan-2,5-dione, 4-(acetyloxy)-3,3a,4,4a,7a,8,9,9a-octahydro-3,4a,8-trimethyl-, [3R-(3α,3aα,4β,4aβ,7aα,8α,9aβ)]-
  • (3R,3aR,4R,4aR,7aR,8R,9aS)-4-(Acetyloxy)-3,3a,4,4a,7a,8,9,9a-octahydro-3,4a,8-trimethylazuleno[6,5-b]furan-2,5-dione

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Deleted or Replaced CAS Registry Numbers

477-36-1, 19202-91-6