Cas no 145033-07-4 (beta,beta-Carotene)
beta,beta-Carotene structure
Product Name:beta,beta-Carotene
CAS No:145033-07-4
MF:C40H56
MW:536.872652053833
CID:101926
Update Time:2023-08-02
beta,beta-Carotene Chemical and Physical Properties
Names and Identifiers
-
- b,b-Carotene, radical ion(1-), 9-cis- (9CI)
- 9-CIS-BETA,BETA-CAROTENE, RADICAL ION(1-)
- 9-cis-beta-Caroteneradicalanion
- .beta.,.beta.-Carotene
- Spectrum_000241
- Spectrum4_001803
- Spectrum3_001732
- Spectrum2_001256
- beta,beta-Carotene, neo D-
- KBioGR_002409
- KBioSS_000721
- DivK1c_000330
- SPBio_001192
- KBio3_002624
- KBio1_000330
- KBio2_003289
- KBio2_000721
- KBio2_005857
- NINDS_000330
- HMS3655E10
- NCI60_008976
- AK546844
- beta,beta-Carotene
-
- Inchi： 1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3
- InChI Key： OENHQHLEOONYIE-UHFFFAOYSA-N
- SMILES： C1(C)(C)C(C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C)C)C)=C(C)CCC1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 40
- Rotatable Bond Count: 10
- Complexity: 1120
- XLogP3: 13.5
- Topological Polar Surface Area: 0
beta,beta-Carotene Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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