Cas no 515-06-0 (b,b-Carotene, 5,8-epoxy-5,8-dihydro-)
515-06-0 structure
Product Name:b,b-Carotene, 5,8-epoxy-5,8-dihydro-
b,b-Carotene, 5,8-epoxy-5,8-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- b,b-Carotene, 5,8-epoxy-5,8-dihydro-
- Neo-Mutatochrome-B
- beta-Carotene 5,8-epoxide
- SCHEMBL39732
- 5,8-Epoxy-5,8-dihydro-b,b-carotene
- C08605
- 4,4,7a-trimethyl-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-6,11,15-trimethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,5,6,7-tetrahydro-1-benzofuran
- LMPR01070277
- 515-06-0
- MUTATOCHROME, ALL-TRANS-
- Q15425813
- 5,8-Monoepoxy-beta-carotene
- Mutatochrome
- Flavacin?
- 5,8-EPOXY-5,8-DIHYDRO-.BETA.,.BETA.-CAROTENE
- .BETA.,.BETA.-CAROTENE, 5,8-EPOXY-5,8-DIHYDRO-
- Citroxanthin
- CHEBI:7037
-
- Inchi： 1S/C40H56O/c1-30(19-13-20-32(3)24-25-35-33(4)23-15-26-38(35,6)7)17-11-12-18-31(2)21-14-22-34(5)36-29-37-39(8,9)27-16-28-40(37,10)41-36/h11-14,17-22,24-25,29,36H,15-16,23,26-28H2,1-10H3/b12-11+,19-13+,21-14+,25-24+,30-17+,31-18+,32-20+,34-22+
- InChI Key： GFPJSSAOISEBQL-FZKBJVJCSA-N
- SMILES： O1C(/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C)CCCC2(C)C)/C)/C)C=C2C(C)(C)CCCC12C
Computed Properties
- Exact Mass: 552.433116406g/mol
- Monoisotopic Mass: 552.433116406g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 41
- Rotatable Bond Count: 9
- Complexity: 1260
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 8
- Undefined Bond Stereocenter Count: 0
- XLogP3: 12.5
- Topological Polar Surface Area: 9.2?2
b,b-Carotene, 5,8-epoxy-5,8-dihydro- Related Literature
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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