Cas no 173221-07-3 (Zhankuic acid B)
Zhankuic acid B structure
Product Name:Zhankuic acid B
CAS No:173221-07-3
MF:C29H42O5
MW:470.64078950882
CID:2013558
PubChem ID:53323940
Update Time:2025-04-21
Zhankuic acid B Chemical and Physical Properties
Names and Identifiers
-
- Zhankuic acid B
- 3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid
- (6R)-6-[(3R,4S)-3-hydroxy-4,10,13-trimethyl-7,11-dioxo-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid
- (3alpha,4alpha,5alpha)-3-Hydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-oic acid
- (6R)-6-((3R,4S)-3-hydroxy-4,10,13-trimethyl-7,11-dioxo-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-17-yl)-2-methyl-3-methylideneheptanoic acid
- CHEBI:66504
- 3-hydroxy-4-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid
- Q27135109
- SCHEMBL11885909
- (6R)-6-((3R,4S,5S,10S,13R,14R,17R)-3-hydroxy-4,10,13-trimethyl-7,11-dioxo-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-17-yl)-2-methyl-3-methylideneheptanoic acid
- BDBM50334066
- 173221-07-3
- (6R)-6-[(3R,4S,5S,10S,13R,14R,17R)-3-hydroxy-4,10,13-trimethyl-7,11-dioxo-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid
- CHEMBL1644790
- (2S,6R)-6-((2S,5R,6S,7S,11R,14R,15R)-5-Hydroxy-2,6,15-trimethyl-9,17-dioxotetracyclo(8.7.0.0,.0,)heptadec-1(10)-en-14-yl)-2-methyl-3-methylideneheptanoate
- (2S,6R)-6-[(2S,5R,6S,7S,11R,14R,15R)-5-Hydroxy-2,6,15-trimethyl-9,17-dioxotetracyclo[8.7.0.0,.0,]heptadec-1(10)-en-14-yl]-2-methyl-3-methylideneheptanoate
-
- Inchi： 1S/C29H42O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-22,30H,1,7-14H2,2-6H3,(H,33,34)
- InChI Key： TXEJUZMIQVTZHO-UHFFFAOYSA-N
- SMILES： CC(C1C2(C(C3C(=O)CC4C(CCC(C4C)O)(C)C=3C(C2)=O)CC1)C)CCC(C(C(=O)O)C)=C
Computed Properties
- Exact Mass: 470.30322444Da
- Monoisotopic Mass: 470.30322444Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 34
- Rotatable Bond Count: 6
- Complexity: 946
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.559
- Topological Polar Surface Area: 91.7?2
Zhankuic acid B Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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