Alantolactone | CAS No. 546-43-0

Alantolactone

Basic Information

CAS Number

546-43-0

Molecular Formula

C15H20O2

Molecular Weight

232.32 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

78-79 C

Boiling Point

275℃ at 760mmHg

Flash Point

111.5°C

Solubility

DMSO: soluble15mg/mL (clear solution)

Refractive Index

1.4360 (estimate)

Specific Rotation

D +175° (chloroform)

CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C

InChI

InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1

InChIKey

PXOYOCNNSUAQNS-AGNJHWRGSA-N

LogP

3.2406000000000024

Topological Polar Surface Area

26.3 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

421

Safety Information

View Safety Information

GHS Hazard Pictograms

H317H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Storage Conditions

-20℃

Synonyms & References

English

  • s8318
  • LMPR0103190013
  • NCI60_042073
  • Eupatal
  • SCHEMBL155169
  • BDBM50096873
  • [3aR-(3a alpha,5 beta,8a beta,9a alpha)]-3a,5,6,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
  • Spectrum2_000297
  • KBio2_003345
  • Naphtho[2, 3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-, [3aR-(3a.alpha.,5.beta.,8a.beta.,9a.alpha.)]-
  • Alantic anhydride
  • KBioSS_000777
  • Elecampane camphor
  • Inula camphor
  • Naphtho[2,3-b]furan-2(3H)-one, 3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-, (3aR,5S,8aR,9aR)-
  • Alantcamphor
  • NSC-93131
  • (3aR,5S,8aR,9aR)-3a,5,6,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
  • UNII-M7GSN5Q1M6
  • Spectrum_000297
  • DTXSID90877864
  • NSC 302289
  • (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
  • NSC 93131
  • Alantolactone, >=98% (HPLC)
  • helenin
  • AC-31414
  • Naphtho[2,3-b]furan-2(3H)-one,3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethyl-3-methylene-,(3aR,5S,8aR,9aR)-
  • Alantolactone
  • (3aR,5S,8aR,9aR)-5,8a-Dimethyl-3-methylene-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
  • CCG-39639

MDL Number

MFCD00274568

Customs Code

2932209090

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