Cas no 31087-87-3 (Card-20(22)-enolide,3-[(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)oxy]-14-hydroxy-, (3b,5b)- (9CI))
![Card-20(22)-enolide,3-[(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)oxy]-14-hydroxy-, (3b,5b)- (9CI) structure](https://ossimg.kuujia.com/scimg/31500/31087-87-3x500.png)
31087-87-3 structure
Product Name:Card-20(22)-enolide,3-[(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)oxy]-14-hydroxy-, (3b,5b)- (9CI)
CAS No:31087-87-3
MF:C30H46O7
MW:518.682050228119
CID:310848
PubChem ID:45266905
Update Time:2025-04-19
Card-20(22)-enolide,3-[(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)oxy]-14-hydroxy-, (3b,5b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Card-20(22)-enolide,3-[(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)oxy]-14-hydroxy-, (3b,5b)- (9CI)
- DTXSID501024949
- 31087-87-3
- Card-20(22)-enolide, 3-((2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy)-14-hydroxy-, (3-beta,5-beta)-
- Beaumontoside
- SCHEMBL7166797
-
- Inchi： 1S/C30H46O7/c1-17-27(32)24(34-4)15-26(36-17)37-20-7-10-28(2)19(14-20)5-6-23-22(28)8-11-29(3)21(9-12-30(23,29)33)18-13-25(31)35-16-18/h13,17,19-24,26-27,32-33H,5-12,14-16H2,1-4H3/t17-,19+,20-,21+,22-,23+,24-,26-,27-,28-,29+,30-/m0/s1
- InChI Key： YBZZSZQZDODUAA-APJQWBIYSA-N
- SMILES： O[C@]12CC[C@H](C3=CC(=O)OC3)[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](C[C@H]3CC[C@@H]21)O[C@H]1C[C@@H]([C@H]([C@H](C)O1)O)OC
Computed Properties
- Exact Mass: 518.324
- Monoisotopic Mass: 518.324
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 37
- Rotatable Bond Count: 4
- Complexity: 935
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 94.4A^2
Experimental Properties
- Density: 1.22
- Boiling Point: 662.5°Cat760mmHg
- Flash Point: 211.8°C
- Refractive Index: 1.569
Card-20(22)-enolide,3-[(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)oxy]-14-hydroxy-, (3b,5b)- (9CI) Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cardenolides and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Cardenolides and derivatives
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