Tokinolide B

CAS Registry Number®

112966-16-2

CAS Name

Tokinolide B

Molecular Formula

C24H28O4

Molecular Mass

380.48

Cite this Page

Tokinolide B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=112966-16-2 (retrieved 2024-11-26) (CAS RN: 112966-16-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H28O4/c1-3-5-11-20-23-13-12-15(14-19(23)22(26)27-20)17(8-4-2)24(23)18-10-7-6-9-16(18)21(25)28-24/h6,9,11,14-15,17H,3-5,7-8,10,12-13H2,1-2H3/b20-11-/t15-,17-,23?,24+/m1/s1

InChIKey

InChIKey=DZMFTLLDUYBHLI-SWCBZASASA-N

SMILES

C(CC)[C@H]1[C@@]2([C@]3\4C(=C[C@]1(CC3)[H])C(=O)O/C4=C\CCC)C5=C(C(=O)O2)C=CCC5

Canonical SMILES

O=C1OC(=CCCC)C23C1=CC(CC2)C(CCC)C43OC(=O)C=5C=CCCC54

Other Names for this Substance

  • Spiro[3H-3a,6-ethanoisobenzofuran-4(1H),1′(3′H)-isobenzofuran]-1,3′-dione, 3-butylidene-5,6,6′,7′-tetrahydro-5-propyl-, (1′S,3Z,3aS,5R,6R)-
  • Spiro[3H-3a,6-ethanoisobenzofuran-4(1H),1′(3′H)-isobenzofuran]-1,3′-dione, 3-butylidene-5,6,6′,7′-tetrahydro-5-propyl-, [3aS-(3Z,3aα,4α,5α,6α)]-
  • (1′S,3Z,3aS,5R,6R)-3-Butylidene-5,6,6′,7′-tetrahydro-5-propylspiro[3H-3a,6-ethanoisobenzofuran-4(1H),1′(3′H)-isobenzofuran]-1,3′-dione
  • Tokinolide B
  • (3′Z)-(3S,8R,3a'S,6′R)-3,3a′:8,6′-Diligustilide

CAS INSIGHTSTM
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