Botryococcene

CAS Registry Number®

42719-34-6

CAS Name

Botryococcene

Molecular Formula

C34H58

Molecular Mass

466.82

Cite this Page

Botryococcene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=42719-34-6 (retrieved 2024-11-25) (CAS RN: 42719-34-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H58/c1-14-34(13,24-22-33(12)32(11)20-18-29(8)26(4)5)23-21-27(6)15-16-30(9)31(10)19-17-28(7)25(2)3/h14,21,23,27-30,33H,1-2,4,10-11,15-20,22,24H2,3,5-9,12-13H3/b23-21+/t27-,28+,29+,30+,33+,34+/m1/s1

InChIKey

InChIKey=RRFKZRGEWFCPGV-KWNNYQEVSA-N

SMILES

[C@](CC[C@@H](C(CC[C@@H](C(C)=C)C)=C)C)(/C=C/[C@@H](CC[C@@H](C(CC[C@@H](C(C)=C)C)=C)C)C)(C=C)C

Canonical SMILES

C=CC(C=CC(C)CCC(C(=C)CCC(C(=C)C)C)C)(C)CCC(C(=C)CCC(C(=C)C)C)C

Other Names for this Substance

  • 1,11,21-Docosatriene, 10-ethenyl-2,3,7,10,13,16,20,21-octamethyl-6,17-bis(methylene)-, (3S,7S,10S,11E,13R,16S,20S)-
  • 1,11,21-Docosatriene, 10-ethenyl-2,3,7,10,13,16,20,21-octamethyl-6,17-bis(methylene)-, [3S-(3R*,7R*,10R*,11E,13S*,16R*,20R*)]-
  • (3S,7S,10S,11E,13R,16S,20S)-10-Ethenyl-2,3,7,10,13,16,20,21-octamethyl-6,17-bis(methylene)-1,11,21-docosatriene
  • Botryococcene
  • (-)-Botryococcene

Deleted or Replaced CAS Registry Numbers

11053-62-6

CAS INSIGHTSTM
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