Cas no 41410-53-1 (Gymnomitrol)
Gymnomitrol structure
Product Name:Gymnomitrol
CAS No:41410-53-1
MF:C15H24O
MW:220.350464820862
CID:2004361
Update Time:2025-04-21
Gymnomitrol Chemical and Physical Properties
Names and Identifiers
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- Gymnomitrol
- (3aS,9S)-Decahydro-3aβ,4,8aβ-trimethyl-7-methylene-4β,8β-methanoazulen-9-ol
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- Inchi: 1S/C15H24O/c1-10-6-9-14(3)12(16)11(10)13(2)7-5-8-15(13,14)4/h11-12,16H,1,5-9H2,2-4H3/t11-,12+,13-,14+,15-/m0/s1
- InChI Key: JKHYQMRSAYOHOA-ZQNQSHIBSA-N
- SMILES: C1C(=C)[C@H]2[C@H]([C@](C)([C@]3(CCC[C@]32C)C)C1)O
Computed Properties
- Exact Mass: 220.183
- Monoisotopic Mass: 220.183
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 360
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2A^2
- XLogP3: 4.022
Gymnomitrol Related Literature
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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