Cas no 84104-70-1 (Olean-12-en-29-oicacid, 22-hydroxy-3-oxo-, g-lactone, (20a,22a)-)
84104-70-1 structure
Product Name:Olean-12-en-29-oicacid, 22-hydroxy-3-oxo-, g-lactone, (20a,22a)-
CAS No:84104-70-1
MF:C30H44O3
MW:452.668569564819
CID:722500
PubChem ID:90476631
Update Time:2024-10-26
Olean-12-en-29-oicacid, 22-hydroxy-3-oxo-, g-lactone, (20a,22a)- Chemical and Physical Properties
Names and Identifiers
-
- Olean-12-en-29-oicacid, 22-hydroxy-3-oxo-, g-lactone, (20a,22a)-
- (22β)-22,29-Epoxyolean-12-ene-3,29-dione
- wilforlide B
- 4,2-(Epoxymethano)picene, olean-12-en-29-oic acid deriv. (ZCI)
- 3-Oxoolean-12-en-29,22-olide
- 84104-70-1
- CHEMBL484854
- Olean-12-en-29-oic acid, 22-hydroxy-3-oxo-, gamma-lactone, (20alpha,22alpha)-
- DTXSID901004387
- HY-N9390
- 22,29-Epoxyolean-12-ene-3,29-dione
- CS-0159666
- (1R,2R,5S,6R,9R,14R,15R,19S,21R)-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-ene-11,22-dione
- AKOS040758375
- welforlide B
- DA-68700
- (1R,2R,5S,6R,9R,14R,15R,19S,21R)-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo(19.2.1.02,19.05,18.06,15.09,14)tetracos-17-ene-11,22-dione
-
- Inchi： 1S/C30H44O3/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3)17-23(33-24(26)32)27(19,4)14-15-29(18,30)6/h8,19-21,23H,9-17H2,1-7H3/t19-,20-,21+,23-,26-,27+,28-,29+,30+/m0/s1
- InChI Key： SNNNDALPPUPEKW-TYNJRVMBSA-N
- SMILES： C[C@]12[C@@]3(CC[C@H]4C(C)(C)C(=O)CC[C@@]4([C@H]3CC=C1[C@@H]1C[C@@]3(C(O[C@@H](C3)[C@@]1(CC2)C)=O)C)C)C
Computed Properties
- Exact Mass: 452.32904526g/mol
- Monoisotopic Mass: 452.32904526g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 33
- Rotatable Bond Count: 0
- Complexity: 977
- 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: 6.6
- Topological Polar Surface Area: 43.4?2
Olean-12-en-29-oicacid, 22-hydroxy-3-oxo-, g-lactone, (20a,22a)- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
84104-70-1 (Olean-12-en-29-oicacid, 22-hydroxy-3-oxo-, g-lactone, (20a,22a)-) Related Products
- 84104-71-2(Wilforlide A)
- 4339-72-4(3-O-Acetyloleanolic acid)
- 7372-30-7(Ursolic acid acetate)
- 5697-56-3(Carbenoxolone)
- 1778-02-5(Pregnenolone acetate)
- 29070-92-6(Pachymic acid)
- 23983-43-9((3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopentaaphenanthren-3-yl Heptanoate)
- 192704-56-6(11a-Hydroxy Mexrenone)
- 853-23-6(dehydroisoandrosterone 3-acetate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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