Cas no 173327-15-6 (Ergosta-8,24(28)-dien-26-oicacid, 4-methyl-3,7,11-trioxo-, (4a,5a)-)
173327-15-6 structure
Product Name:Ergosta-8,24(28)-dien-26-oicacid, 4-methyl-3,7,11-trioxo-, (4a,5a)-
CAS No:173327-15-6
MF:C29H40O5
MW:468.62490940094
CID:188154
PubChem ID:10004842
Update Time:2025-04-19
Ergosta-8,24(28)-dien-26-oicacid, 4-methyl-3,7,11-trioxo-, (4a,5a)- Chemical and Physical Properties
Names and Identifiers
-
- Ergosta-8,24(28)-dien-26-oicacid, 4-methyl-3,7,11-trioxo-, (4a,5a)-
- Zhankuicacid A
- (6R)-2-methyl-3-methylidene-6-[(4S,5S,10S,13R,14R,17R)-4,10,13-trimethyl-3,7,11-trioxo-1,2,4,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
- (4alpha,5alpha)-4-Methyl-3,7,11-trioxoergosta-8,24(28)-dien-26-oic acid
- DTXSID60434004
- CHEMBL1644789
- ZHANKUIC ACID A
- 4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid
- CHEBI:66503
- SCHEMBL17368945
- 173327-15-6
- Q27135108
- BDBM50334061
- Antcin B
- Antcamphin I
- Antcamphin J
-
- Inchi： 1S/C29H40O5/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/h16-21H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,21+,28+,29-/m1/s1
- InChI Key： DVORYMAGXQGBQK-QCMFUGJUSA-N
- SMILES： O=C1C2=C(C(C[C@H]3[C@H](C)C(CC[C@]23C)=O)=O)[C@@H]2CC[C@H]([C@H](C)CCC(=C)C(C(=O)O)C)[C@@]2(C)C1
Computed Properties
- Exact Mass: 468.2877
- Monoisotopic Mass: 468.28757437g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 34
- Rotatable Bond Count: 6
- Complexity: 989
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.3
- Topological Polar Surface Area: 88.5?2
Experimental Properties
- PSA: 88.51
Ergosta-8,24(28)-dien-26-oicacid, 4-methyl-3,7,11-trioxo-, (4a,5a)- Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
Related Categories
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