Cas no 15575-05-0 (Castaprenol 12)
Castaprenol 12 structure
Product Name:Castaprenol 12
CAS No:15575-05-0
MF:C60H98O
MW:835.419538974762
CID:202029
PubChem ID:14380581
Update Time:2024-02-29
Castaprenol 12 Chemical and Physical Properties
Names and Identifiers
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- 2,6,10,14,18,22,26,30,34,38,42,46-Octatetracontadodecaen-1-ol,3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyl- (8CI,9CI)
- ficaprenol (C60)
- Castaprenol 12
- 15575-05-0
- (2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-DODECAMETHYLOCTATETRACONTA-2,6,10,14,18,22,26,30,34,38,42,46-DODECAEN-1-OL
-
- Inchi： 1S/C60H98O/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-61/h25,27,29,31,33,35,37,39,41,43,45,47,61H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3/b50-27+,51-29+,52-31+,53-33+,54-35+,55-37+,56-39+,57-41+,58-43+,59-45+,60-47+
- InChI Key： BDMCAOBQLHJGBE-GNZYJLLNSA-N
- SMILES： OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C
Computed Properties
- Exact Mass: 834.76176775g/mol
- Monoisotopic Mass: 834.76176775g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 61
- Rotatable Bond Count: 34
- Complexity: 1570
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 11
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2
- XLogP3: 21.5
Castaprenol 12 Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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