Cas no 13224-63-0 (Olean-12-en-28-oicacid, 3-hydroxy-22-[(2-methyl-1-oxo-2-butenyl)oxy]-, [3b,22b(Z)]- (9CI))
![Olean-12-en-28-oicacid, 3-hydroxy-22-[(2-methyl-1-oxo-2-butenyl)oxy]-, [3b,22b(Z)]- (9CI) structure](https://ossimg.kuujia.com/scimg/13500/13224-63-0x500.png)
13224-63-0 structure
Product Name:Olean-12-en-28-oicacid, 3-hydroxy-22-[(2-methyl-1-oxo-2-butenyl)oxy]-, [3b,22b(Z)]- (9CI)
CAS No:13224-63-0
MF:C35H54O5
MW:554.800271511078
CID:183929
PubChem ID:6438155
Update Time:2025-04-19
Olean-12-en-28-oicacid, 3-hydroxy-22-[(2-methyl-1-oxo-2-butenyl)oxy]-, [3b,22b(Z)]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Olean-12-en-28-oicacid, 3-hydroxy-22-[(2-methyl-1-oxo-2-butenyl)oxy]-, [3b,22b(Z)]- (9CI)
- (4R,4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
- 22 beta-angeloyloxyoleanolic acid
- (3beta,5xi,18alpha,22beta)-3-hydroxy-22-{[(2E)-2-methylbut-2-enoyl]oxy}olean-12-en-28-oic acid
- Lantadene A (reduced)
- Olean-12-en-28-oic acid, 3-hydroxy-22-((2-methyl-1-oxo-2-butenyl)oxy)-, (3beta,22beta(Z))-
- Reduced lantadene A
- 13224-63-0
- 22beta-Angeloyloxyoleanolic acid
-
- Inchi： 1S/C35H54O5/c1-10-21(2)28(37)40-27-20-30(3,4)19-23-22-11-12-25-32(7)15-14-26(36)31(5,6)24(32)13-16-34(25,9)33(22,8)17-18-35(23,27)29(38)39/h10-11,23-27,36H,12-20H2,1-9H3,(H,38,39)/b21-10+/t23-,24?,25-,26+,27-,32+,33-,34-,35+/m1/s1
- InChI Key： BJFLQQFMBZHWKK-LQJUYVCFSA-N
- SMILES： O[C@H]1CC[C@@]2(C)C(C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C(=O)O)[C@@H](CC(C)(C)C[C@@H]4C3=CC[C@@H]12)OC(/C(=C/C)/C)=O
Computed Properties
- Exact Mass: 554.39712482g/mol
- Monoisotopic Mass: 554.39712482g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 40
- Rotatable Bond Count: 4
- Complexity: 1150
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.1
- Topological Polar Surface Area: 83.8?2
Olean-12-en-28-oicacid, 3-hydroxy-22-[(2-methyl-1-oxo-2-butenyl)oxy]-, [3b,22b(Z)]- (9CI) Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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4. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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