Cas no 508-73-6 (Canescein)
Canescein structure
Product Name:Canescein
CAS No:508-73-6
MF:C29H42O11
MW:566.637190341949
CID:2009141
PubChem ID:10501
Update Time:2025-04-21
Canescein Chemical and Physical Properties
Names and Identifiers
-
- Canescein
- Sarmentoside
- Tholloside
- 3β-[(6-Deoxy-α-L-talopyranosyl)oxy]-5,11α,14-trihydroxy-19-oxo-5β-card-20(22)-enolide
- Sarmentoside D
- Sarmentoside A, crude crystallisate
- Sarmentosid A-rohrkristallisat [German]
- Sarmentosid D [German]
- 508-73-6
- Sarmentoside A
- DTXSID30911473
- Sarmentosid A-rohrkristallisat
- 3-[(6-Deoxyhexopyranosyl)oxy]-5,11,14-trihydroxy-19-oxocard-20(22)-enolide
- Sarmentoside C
- Card-20(22)-enolide, 3-((6-deoxy-alpha-L-talopyranosyl)oxy)-5,11,14-trihydroxy-19-oxo-, (3-beta,5-beta,11-alpha)-
- Sarmentosid D
- 11005-45-1
-
- Inchi： 1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,13-14,16-19,21-25,31,33-37H,3-8,10-12H2,1-2H3
- InChI Key： AZOXLPPOBHVORY-UHFFFAOYSA-N
- SMILES： CC1C(O)C(O)C(O)C(OC2CC3(C(C4C(CC3)C3(C(C(C5COC(=O)C=5)CC3)(C)CC4O)O)(C=O)CC2)O)O1
Computed Properties
- Exact Mass: 566.272712
- Monoisotopic Mass: 566.272712
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 40
- Rotatable Bond Count: 4
- Complexity: 1080
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _1.8
- Topological Polar Surface Area: 183
Canescein Related Literature
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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