Cas no 58728-01-1 (stemarin)
stemarin structure
Product Name:stemarin
CAS No:58728-01-1
MF:C20H34O2
MW:306.482766628265
CID:2044866
PubChem ID:12151291
Update Time:2025-04-21
stemarin Chemical and Physical Properties
Names and Identifiers
-
- stemarin
- (4R,4aβ,6aα)-Tetradecahydro-8β-hydroxy-4,8,11bα-trimethyl-9β,11aβ-methano-11aH-cyclohepta[a]naphthalene-4-methanol
- (1R,2S,6R,7R,10S,12R,13R)-6-(hydroxymethyl)-2,6,12-trimethyltetracyclo[11.2.1.01,10.02,7]hexadecan-12-ol
- 58728-01-1
- (1R,2S,6R,7R,10S,12R,13R)-6-(hydroxymethyl)-2,6,12-trimethyltetracyclo(11.2.1.01,10.02,7)hexadecan-12-ol
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- Inchi： 1S/C20H34O2/c1-17(13-21)8-4-9-18(2)16(17)6-5-15-11-19(3,22)14-7-10-20(15,18)12-14/h14-16,21-22H,4-13H2,1-3H3
- InChI Key： FTJVSKZQYPUTJW-UHFFFAOYSA-N
- SMILES： CC1(C2CC3(C(CCC4C3(C)CCCC4(CO)C)C1)CC2)O
Computed Properties
- Exact Mass: 306.255880323Da
- Monoisotopic Mass: 306.255880323Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 476
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.47
- Topological Polar Surface Area: 40.5?2
stemarin Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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