Cas no 87205-98-9 (2beta-Hydroxyursolic acid)
2beta-Hydroxyursolic acid structure
Product Name:2beta-Hydroxyursolic acid
CAS No:87205-98-9
MF:C30H48O4
MW:472.699729919434
CID:61057
PubChem ID:24721200
Update Time:2025-04-18
2beta-Hydroxyursolic acid Chemical and Physical Properties
Names and Identifiers
-
- 2beta-Hydroxyursolic acid
- (2beta,3beta)-2,3-Dihydroxy-urs-12-en-28-oic acid
- 2Β-HYDROXYURSOLIC ACID
- Corosolic acid
- (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
- 2-epi-corosolic acid
- SCHEMBL13735311
- 87205-98-9
- CHEMBL391534
- BDBM50346707
-
- Inchi： 1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
- InChI Key： HFGSQOYIOKBQOW-XOYVNYDSSA-N
- SMILES： O[C@H]1[C@H](C[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C(=O)O)CC[C@@H](C)[C@H](C)[C@H]4C3=CC[C@@H]12)O
Computed Properties
- Exact Mass: 472.35526001g/mol
- Monoisotopic Mass: 472.35526001g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 1
- Complexity: 908
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 11
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.4
- Topological Polar Surface Area: 77.8?2
2beta-Hydroxyursolic acid Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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3. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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