Cas no 256451-86-2 (5,6-Dihydroxy-3-mercapto-12-methyloxacyclododecan-2-one; (3S,5R,6S,12R)-form, 5-Ketone, S-carboxymethyl)
256451-86-2 structure
Product Name:5,6-Dihydroxy-3-mercapto-12-methyloxacyclododecan-2-one; (3S,5R,6S,12R)-form, 5-Ketone, S-carboxymethyl
CAS No:256451-86-2
MF:C14H22O6S
MW:318.385883808136
CID:6682209
Update Time:2024-03-02
5,6-Dihydroxy-3-mercapto-12-methyloxacyclododecan-2-one; (3S,5R,6S,12R)-form, 5-Ketone, S-carboxymethyl Chemical and Physical Properties
Names and Identifiers
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- Pandangolide 2
- (-)-Pandangolide 2
- 5,6-Dihydroxy-3-mercapto-12-methyloxacyclododecan-2-one; (3S,5R,6S,12R)-form, 5-Ketone, S-carboxymethyl
-
- Inchi： 1S/C14H22O6S/c1-9-5-3-2-4-6-10(15)11(16)7-12(14(19)20-9)21-8-13(17)18/h9-10,12,15H,2-8H2,1H3,(H,17,18)
- InChI Key： MJEKHZZVWNBZOT-UHFFFAOYSA-N
- SMILES： CC1OC(=O)C(SCC(=O)O)CC(=O)C(O)CCCCC1
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- XLogP3: 1.287
5,6-Dihydroxy-3-mercapto-12-methyloxacyclododecan-2-one; (3S,5R,6S,12R)-form, 5-Ketone, S-carboxymethyl Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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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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