Cas no 72002-36-9 ((3R,3R')-beta,beta-carotene-3,3'-diol)
72002-36-9 structure
Product Name:(3R,3R')-beta,beta-carotene-3,3'-diol
CAS No:72002-36-9
MF:C40H56O2
MW:568.871452331543
CID:2077213
PubChem ID:21772452
Update Time:2025-04-21
(3R,3R')-beta,beta-carotene-3,3'-diol Chemical and Physical Properties
Names and Identifiers
-
- (3R,3R')-beta,beta-carotene-3,3'-diol
- (3R,3'R)-beta,beta-carotene-3,3'-diol
- (3R,3'R)-zeaxanthin
- 3,3'-dihydroxy-beta-carotene
- beta,beta-carotene-3,3'-diol
- ZEA
- zeaxanthin
- Zeaxanthin, (3S,3'S)-
- UNII-KRI00MMQ7Y
- (3S,3'S)-Zeaxanthin
- (1S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol
- Q27282392
- (1S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
- (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
- (3S,3'S)-beta,beta-Carotene-3,3'-diol
- (3S,3'S,all-E)-Zeaxanthin
- SCHEMBL10452932
- 72002-36-9
- DTXSID001315686
- CHEBI:176102
- KRI00MMQ7Y
- (3S,3a(2)S)-Zeaxanthin
-
- 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/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m0/s1
- InChI Key: JKQXZKUSFCKOGQ-ANDPMPNWSA-N
- SMILES: O[C@H]1CC(C)=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C)C[C@@H](CC2(C)C)O)/C)/C)C(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: 1190
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 9
- Undefined Bond Stereocenter Count: 0
- XLogP3: 10.9
- Topological Polar Surface Area: 40.5?2
(3R,3R')-beta,beta-carotene-3,3'-diol Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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