Cas no 1857-11-0 (Sempervirol)
Sempervirol structure
Product Name:Sempervirol
CAS No:1857-11-0
MF:C20H30O
MW:286.451606273651
CID:2000510
PubChem ID:12442761
Update Time:2025-04-21
Sempervirol Chemical and Physical Properties
Names and Identifiers
-
- Sempervirol
- (+)-Sempervirol
- (4bS,8aS)-4b,5,6,7,8,8a,9,10-Octahydro-4b,8,8-trimethyl-3-isopropylphenanthren-2-ol
- CHEMBL1097038
- SCHEMBL10524412
- DTXSID501118720
- rel-(4bR,8aR)-4b,5,6,7,8,8a,9,10-Octahydro-4b,8,8-trimethyl-3-(1-methylethyl)-2-phenanthrenol
- 1857-11-0
- 17990-27-1
- (4bS,8aS)-4b,8,8-trimethyl-3-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
-
- Inchi： 1S/C20H30O/c1-13(2)15-12-16-14(11-17(15)21)7-8-18-19(3,4)9-6-10-20(16,18)5/h11-13,18,21H,6-10H2,1-5H3
- InChI Key： RSIJAQZNHHXEJZ-UHFFFAOYSA-N
- SMILES： CC(C1C(O)=CC2CCC3C(C=2C=1)(C)CCCC3(C)C)C
Computed Properties
- Exact Mass: 286.229665576Da
- Monoisotopic Mass: 286.229665576Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 385
- 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
- XLogP3: 6.803
- Topological Polar Surface Area: 20.2?2
Sempervirol Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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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
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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