Cas no 61656-50-6 (Chondrillin)
Chondrillin structure
Product Name:Chondrillin
CAS No:61656-50-6
MF:C24H44O5
MW:412.603168487549
CID:520399
Update Time:2024-03-01
Chondrillin Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Dioxin-3-aceticacid, 6-hexadecyl-3,6-dihydro-6-methoxy-, methyl ester, (3R,6S)-
- (+)-Chondrillin
- 1,2-Dioxin-3-aceticacid, 6-hexadecyl-3,6-dihydro-6-methoxy-, methyl ester, (3R-trans)-
- Chondrillin
- NSC721443
- (3R)-6alpha-Hexadecyl-3,6-dihydro-6-methoxy-1,2-dioxin-3alpha-acetic acid methyl ester
-
- Inchi： 1S/C24H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(27-3)20-18-22(28-29-24)21-23(25)26-2/h18,20,22H,4-17,19,21H2,1-3H3/t22-,24-/m0/s1
- InChI Key： ZKFUKHCEACWDKL-UPVQGACJSA-N
- SMILES： O1[C@](C=C[C@@H](CC(=O)OC)O1)(CCCCCCCCCCCCCCCC)OC
Computed Properties
- Exact Mass: 412.319
- Monoisotopic Mass: 412.319
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 29
- Rotatable Bond Count: 19
- Complexity: 437
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 54
Chondrillin Related Literature
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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