Cas no 38327-39-8 (b,e-Carotene-3,3'-diol, (3R,3'R,6'R,?-cis)-)
38327-39-8 structure
Product Name:b,e-Carotene-3,3'-diol, (3R,3'R,6'R,?-cis)-
CAS No:38327-39-8
MF:C40H56O2
MW:568.871452331543
CID:314835
PubChem ID:5368396
Update Time:2025-04-19
b,e-Carotene-3,3'-diol, (3R,3'R,6'R,?-cis)- Chemical and Physical Properties
Names and Identifiers
-
- b,e-Carotene-3,3'-diol, (3R,3'R,6'R,?-cis)-
- 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(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-3-en-1-ol
- (Z)-Xanthophyll
- cis-Lutein
- 127-40-2
- 38327-39-8
- NSC59193
- SCHEMBL822798
- (1R)-4-[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-3-en-1-ol
- CHEMBL1979448
- xanthophyll from alfalfa
- 4',5'-Didehydro-5',6'-dihydro-beta,beta-carotene-3,3'-diol
- LS-15429
- 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(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-2-en-1-ol
- .beta.,3'-diol, (3R,3'R,6'R)-
- 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol
- NCGC00482960-01
- 3,3'-Dihydroxy-alpha-Carotin
- Q-100115
-
- 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/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
- InChI Key： KBPHJBAIARWVSC-DKLMTRRASA-N
- SMILES： OC1C=C(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)CC(CC2(C)C)O)/C)/C)C(C)(C)C1
Computed Properties
- Exact Mass: 568.428031
- Monoisotopic Mass: 568.428031
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 42
- Rotatable Bond Count: 10
- Complexity: 1270
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 9
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.5
- XLogP3: 11
Experimental Properties
- Density: 1.004
- Boiling Point: 702.3°Cat760mmHg
- Flash Point: 269°C
b,e-Carotene-3,3'-diol, (3R,3'R,6'R,?-cis)- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
38327-39-8 (b,e-Carotene-3,3'-diol, (3R,3'R,6'R,?-cis)-) Related Products
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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