Cas no 78306-12-4 ((3R,3'R,6R,6'R)-4,4'-didehydro-6,6'-dihydro-beta,beta-carotene-3,3'-diol)
78306-12-4 structure
Product Name:(3R,3'R,6R,6'R)-4,4'-didehydro-6,6'-dihydro-beta,beta-carotene-3,3'-diol
CAS No:78306-12-4
MF:C40H56O2
MW:568.871452331543
CID:1792717
PubChem ID:5281242
Update Time:2024-03-01
(3R,3'R,6R,6'R)-4,4'-didehydro-6,6'-dihydro-beta,beta-carotene-3,3'-diol Chemical and Physical Properties
Names and Identifiers
-
- (3R,3'R,6R,6'R)-4,4'-didehydro-6,6'-dihydro-beta,beta-carotene-3,3'-diol
- LACTUCAXANTHIN
- (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-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
- C08599
- CHEBI:6357
- Q27107159
- LMPR01070273
- DTXSID80415092
- (3S,3'S,6S,6'S)-epsilon,epsilon-carotene-3,3'-diol
- BIPAHAFBQLWRMC-SUOWZELTSA-N
- 78306-12-4
-
- 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/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37-,38-/m0/s1
- InChI Key： BIPAHAFBQLWRMC-SUOWZELTSA-N
- SMILES： [C@@H]1(O)CC(C)(C)[C@@H](/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H]2C(C)(C)C[C@@H](O)C=C2C)C(C)=C1
Computed Properties
- Exact Mass: 568.42803102g/mol
- Monoisotopic Mass: 568.42803102g/mol
- 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: 11.1
- Topological Polar Surface Area: 40.5?2
(3R,3'R,6R,6'R)-4,4'-didehydro-6,6'-dihydro-beta,beta-carotene-3,3'-diol Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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