Cas no 23939-69-7 ((8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-6,6,10,14,19,23-hexamethylpentacosa-8,10,12,14,16,18,20,22,24-nonaene-2,7-dione)
23939-69-7 structure
Product Name:(8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-6,6,10,14,19,23-hexamethylpentacosa-8,10,12,14,16,18,20,22,24-nonaene-2,7-dione
CAS No:23939-69-7
MF:C40H56O3
MW:584.870852470398
CID:258035
PubChem ID:131752090
Update Time:2024-03-01
(8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-6,6,10,14,19,23-hexamethylpentacosa-8,10,12,14,16,18,20,22,24-nonaene-2,7-dione Chemical and Physical Properties
Names and Identifiers
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- 8,10,12,14,16,18,20,22,24-Pentacosanonaene-2,7-dione,25-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-6,6,10,14,19,23-hexamethyl-(8CI,9CI)
- Triphasiaxanthin
- 8,10,12,14,16,18,20,22,24-Pentacosanonaene-2,7-dione,25-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-6,6,10,14,19,23-hexamet
- (8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-6,6,10,14,19,23-h
- 3'-Hydroxy-5,6-seco-b,b-carotene-5,6-dione
- 3-Hydroxysemi-b-carotenone
- (8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-6,6,10,14,19,23-hexamethylpentacosa-8,10,12,14,16,18,20,22,24-nonaene-2,7-dione
-
- Inchi: 1S/C40H56O3/c1-30(18-13-20-32(3)23-25-37-34(5)28-36(42)29-40(37,9)10)16-11-12-17-31(2)19-14-21-33(4)24-26-38(43)39(7,8)27-15-22-35(6)41/h11-14,16-21,23-26,36,42H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+
- InChI Key: DSSJLYAIYPLGLX-QQGJMDNJSA-N
- SMILES: OC1CC(C)=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(C(C)(C)CCCC(C)=O)=O)/C)/C)C(C)(C)C1
Computed Properties
- Exact Mass: 584.423
- Monoisotopic Mass: 584.423
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 43
- Rotatable Bond Count: 15
- Complexity: 1280
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 9
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 54.4
- XLogP3: 10.4
(8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-6,6,10,14,19,23-hexamethylpentacosa-8,10,12,14,16,18,20,22,24-nonaene-2,7-dione Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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