Cas no 94414-19-4 (3,24-Dihydroxy-12-ursen-28-oic acid)
94414-19-4 structure
Product Name:3,24-Dihydroxy-12-ursen-28-oic acid
CAS No:94414-19-4
MF:C30H48O4
MW:472.699729919434
CID:2011429
PubChem ID:14136881
Update Time:2025-04-21
3,24-Dihydroxy-12-ursen-28-oic acid Chemical and Physical Properties
Names and Identifiers
-
- 3,24-Dihydroxy-12-ursen-28-oic acid
- (3.BETA.,4.ALPHA.)-3,23-DIHYDROXYURS-12-EN-28-OIC ACID
- 2-deoxyasiatic acid
- (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
- 3.BETA.,23-DIHYDROXYURS-12-ENE-28-OIC ACID
- Q27136370
- 1I1MDP27ZG
- CHEMBL523622
- 3beta,23-dihydroxyurs-12-ene-28-oic acid
- (+)-23-Hydroxyursolic acid
- (1S,2R,4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-Hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
- 94414-19-4
- 23-Hydroxyursolic Acid
- URS-12-EN-28-oic acid, 3,23-dihydroxy-, (3beta,4alpha)-
- UNII-1I1MDP27ZG
- (3beta,4alpha)-3,23-Dihydroxyurs-12-en-28-oic acid
- 3beta,23-dihydroxyurs-12-en-28-oic acid
- CHEBI:67896
- DTXSID101314493
- URS-12-EN-28-OIC ACID, 3,23-DIHYDROXY-, (3.BETA.,4.ALPHA.)-
- BDBM50250341
- 23-Hydroxyursolate
- 2-Deoxyasiatate
-
- Inchi： 1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1
- InChI Key： NZCULBURCGAPSF-PQWKYGPVSA-N
- SMILES： O[C@H]1CC[C@@]2(C)[C@H]([C@]1(C)CO)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
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: 2
- Complexity: 896
- 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: 6.7
- Topological Polar Surface Area: 77.8?2
3,24-Dihydroxy-12-ursen-28-oic acid Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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