(2Z,4E,6E,8E,10E,12E,14E,16E)-3-Hydroxy-19-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-2,4,6,8,10,12,14,16-nonadecaoctaen-18-yn-1-one

CAS Registry Number®

50906-61-1
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CAS Name

(2Z,4E,6E,8E,10E,12E,14E,16E)-3-Hydroxy-19-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-2,4,6,8,10,12,14,16-nonadecaoctaen-18-yn-1-one

Molecular Formula

C40H54O4

Molecular Mass

598.85

Cite this Page

(2Z,4E,6E,8E,10E,12E,14E,16E)-3-Hydroxy-19-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-2,4,6,8,10,12,14,16-nonadecaoctaen-18-yn-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50906-61-1 (retrieved 2024-09-19) (CAS RN: 50906-61-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1

InChIKey

InChIKey=WSLGBPCJDUQFND-BBPSKTQQSA-N

SMILES

C(/C=C(/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C#CC=1C(C)(C)C[C@H](O)CC1C)\C)\C)/C)/C)\O)(=O)[C@]2(C)C[C@@H](O)CC2(C)C

Canonical SMILES

O=C(C=C(O)C(=CC=CC(=CC=CC=C(C=CC=C(C#CC1=C(C)CC(O)CC1(C)C)C)C)C)C)C2(C)CC(O)CC2(C)C

Other Names for this Substance

  • 2,4,6,8,10,12,14,16-Nonadecaoctaen-18-yn-1-one, 3-hydroxy-19-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-, (2Z,4E,6E,8E,10E,12E,14E,16E)-
  • β,κ-Caroten-6′-one, 7,8-didehydro-3,3′,8′-trihydroxy-, (3R,3′S,5′R)-
  • (2Z,4E,6E,8E,10E,12E,14E,16E)-3-Hydroxy-19-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-2,4,6,8,10,12,14,16-nonadecaoctaen-18-yn-1-one
  • Mytiloxanthin