Cas no 82915-90-0 ((3R,3'S,6S,6'R)-Tunaxanthin)

(3R,3'S,6S,6'R)-Tunaxanthin structure
(3R,3'S,6S,6'R)-Tunaxanthin structure
Product Name:(3R,3'S,6S,6'R)-Tunaxanthin
CAS No:82915-90-0
MF:C40H56O2
MW:568.871452331543
CID:2014548
PubChem ID:16061199
Update Time:2025-04-21

(3R,3'S,6S,6'R)-Tunaxanthin Chemical and Physical Properties

Names and Identifiers

    • (3R,3'S,6S,6'R)-Tunaxanthin
    • Chiriquixanthin A
    • 78306-12-4
    • Chiriquixanthin B
    • (3R,3'S,6S,6'R)-epsilon,epsilon-Carotene-3,3'-diol
    • (3S,3'S,6R,6'R)-epsilon,epsilon-Carotene-3,3'-diol
    • (3R,6R,3'S,6'R)-epsilon,epsilon-Carotene-3,3'-diol
    • 82915-90-0
    • (3R,3'S,6R,6'S)-epsilon,epsilon-Carotene-3,3'-diol
    • 71697-14-8
    • (3S,3'S,6S,6'S)-epsilon,epsilon-Carotene-3,3'-diol
    • 97746-99-1
    • (3R,3'R,6S,6'S)-epsilon,epsilon-Carotene-3,3'-diol
    • Oxyxanthin 45
    • 97673-78-4
    • Tunaxanthin J
    • 63597-82-0
    • Chiriquixanthin
    • Tunaxanthin I
    • Tunaxanthin H
    • 63597-83-1
    • Tunaxanthin G
    • (3R,3'S,6S,6'S)-epsilon,epsilon-Carotene-3,3'-diol
    • Lactucaxanthin
    • 71697-13-7
    • (3S,3'S,6R,6'S)-epsilon,epsilon-Carotene-3,3'-diol
    • Tunaxanthin E
    • Tunaxanthin D
    • (3R,3'R,6R,6'S)-epsilon,epsilon-Carotene-3,3'-diol
    • Tunaxanthin C
    • Tunaxanthin B
    • Tunaxanthin A
    • 72274-50-1
    • 82915-89-7
    • LMPR01070035
    • (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-2-en-1-ol
    • (1R,4R)-4-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-((1S,4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl)-3,5,5-trimethylcyclohex-2-en-1-ol
    • Inchi: 1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35-38,41-42H,27-28H2,1-10H3
    • InChI Key: BIPAHAFBQLWRMC-UHFFFAOYSA-N
    • SMILES: CC(=CC=CC=C(C=CC=C(C=CC1C(C)(C)CC(O)C=C1C)C)C)C=CC=C(C=CC1C(C)(C)CC(O)C=C1C)C

Computed Properties

  • Exact Mass: 568.42803102Da
  • Monoisotopic Mass: 568.42803102Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 10
  • Complexity: 1160
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 9
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 12.002
  • Topological Polar Surface Area: 40.5?2
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