Cas no 1173-21-3 (Card-20(22)-enolide,3,7,14-trihydroxy-, (3b,5b,7b)-)
1173-21-3 structure
Product Name:Card-20(22)-enolide,3,7,14-trihydroxy-, (3b,5b,7b)-
CAS No:1173-21-3
MF:C23H34O5
MW:390.513067722321
CID:143788
PubChem ID:23617411
Update Time:2025-04-19
Card-20(22)-enolide,3,7,14-trihydroxy-, (3b,5b,7b)- Chemical and Physical Properties
Names and Identifiers
-
- Card-20(22)-enolide,3,7,14-trihydroxy-, (3b,5b,7b)-
- 3-[(3S,5S,7S,10S,13R,14S,17R)-3,7,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
- 3β,7β,14-Trihydroxy-5β-card-20(22)-enolide
- 5-beta-CARD-20(22)-ENOLIDE, 3-beta,7-beta,14-TRIHYDROXY-
- 3beta,7beta,14-Trihydroxy-5beta-card-20(22)-enolide
- JDQWKADNJIUBND-ANHVKYHNSA-N
- 3-[(3S,5S,7S,8S,9S,10S,13R,14S,17R)-3,7,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
- 1173-21-3
- 3-.beta.,7-.beta.,14-Trihydroxy-5-.beta.-card-20(22)-enolide
- 7-beta-Hydroxydigitoxigenin [German]
- 7.beta.-Hydroxydigitoxigenin
- 3-beta,7-beta,14-Trihydroxy-5-beta-card-20(22)-enolide
- 5-.beta.-Card-20(22)-enolide, 3-.beta.,7-.beta.,14-trihydroxy-
- 7-beta-Hydroxydigitoxigenin
- 3,7,14-Trihydroxycard-20(22)-enolide #
-
- Inchi： 1S/C23H34O5/c1-21-6-3-15(24)10-14(21)11-18(25)20-17(21)4-7-22(2)16(5-8-23(20,22)27)13-9-19(26)28-12-13/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15-,16+,17-,18-,20-,21-,22+,23-/m0/s1
- InChI Key： JDQWKADNJIUBND-ANHVKYHNSA-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]3C[C@@H]([C@@H]21)O)O
Computed Properties
- Exact Mass: 390.24062418g/mol
- Monoisotopic Mass: 390.24062418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 1
- Complexity: 718
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 87?2
Card-20(22)-enolide,3,7,14-trihydroxy-, (3b,5b,7b)- Related Literature
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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