Cas no 514-21-6 (Card-20(22)-enolide,16-(formyloxy)-3,14-dihydroxy-, (3b,5b,16b)- (9CI))
514-21-6 structure
Product Name:Card-20(22)-enolide,16-(formyloxy)-3,14-dihydroxy-, (3b,5b,16b)- (9CI)
Card-20(22)-enolide,16-(formyloxy)-3,14-dihydroxy-, (3b,5b,16b)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Card-20(22)-enolide,16-(formyloxy)-3,14-dihydroxy-, (3b,5b,16b)- (9CI)
- [(3S,5R,10S,13R,14S,16S,17R)-3,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate
- 3beta,14,16beta-trihydroxy-5beta-card-20(22)-enolide 16-formate
- (3beta,5beta,8xi,9xi,16beta)-16-(formyloxy)-3,14-dihyd
- 16-Formyl-gitoxigenin
- 3-beta,14,16-beta-Trihydroxy-5-beta-card-20(22)-enolide 16-formate
- 5-beta-Card-20(22)-enolide, 3-beta,14,16-beta-trihydroxy-, 16-formate
- BRN 0057855
- Card-20(22)-enolide, 16-(formyloxy)-3,14-dihydroxy-, (3-beta,5-beta,16-beta)- (9CI)
- Gitaloxigenin
- 514-21-6
- EINECS 208-179-9
- 4-18-00-02457 (Beilstein Handbook Reference)
- 16-(Formyloxy)-3,14-dihydroxycard-20(22)-enolide
- DTXSID20965708
- Card-20(22)-enolide, 16-(formyloxy)-3,14-dihydroxy-, (3-beta,5-beta,16-beta)-
-
- Inchi： 1S/C24H34O6/c1-22-7-5-16(26)10-15(22)3-4-18-17(22)6-8-23(2)21(14-9-20(27)29-12-14)19(30-13-25)11-24(18,23)28/h9,13,15-19,21,26,28H,3-8,10-12H2,1-2H3/t15-,16+,17?,18?,19+,21+,22+,23-,24+/m1/s1
- InChI Key： WPPUBSWJDJKYDK-DMQWCLGJSA-N
- SMILES： O[C@]12C[C@@H]([C@H](C3=CC(=O)OC3)[C@@]1(C)CCC1[C@@]3(C)CC[C@@H](C[C@H]3CCC21)O)OC=O
Computed Properties
- Exact Mass: 418.23553880g/mol
- Monoisotopic Mass: 418.23553880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 30
- Rotatable Bond Count: 3
- Complexity: 778
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 93.1?2
Card-20(22)-enolide,16-(formyloxy)-3,14-dihydroxy-, (3b,5b,16b)- (9CI) Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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