Cas no 118711-55-0 (Olean-12-en-28-oicacid, 2,3,23-trihydroxy-, (2a,3b,4b)-)
118711-55-0 structure
Product Name:Olean-12-en-28-oicacid, 2,3,23-trihydroxy-, (2a,3b,4b)-
CAS No:118711-55-0
MF:C30H48O5
MW:488.699130058289
CID:151960
PubChem ID:470600
Update Time:2025-04-19
Olean-12-en-28-oicacid, 2,3,23-trihydroxy-, (2a,3b,4b)- Chemical and Physical Properties
Names and Identifiers
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- Olean-12-en-28-oicacid, 2,3,23-trihydroxy-, (2a,3b,4b)-
- DTXSID30922761
- 3,23,24-Trihydroxyolean-12-en-28-oic acid
- (4as,6as,6br,10s,12ar)-10-hydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
- 118711-55-0
-
- Inchi： 1S/C30H48O5/c1-25(2)12-14-29(24(34)35)15-13-27(4)19(20(29)16-25)6-7-21-26(3)10-9-23(33)30(17-31,18-32)22(26)8-11-28(21,27)5/h6,20-23,31-33H,7-18H2,1-5H3,(H,34,35)/t20?,21?,22?,23-,26+,27+,28+,29-/m0/s1
- InChI Key： OHJPCHGKSLDGLV-LAYFXRAMSA-N
- SMILES： O[C@H]1CC[C@@]2(C)C(C1(CO)CO)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C(=O)O)CCC(C)(C)CC4C3=CCC12
Computed Properties
- Exact Mass: 488.350175
- Monoisotopic Mass: 488.350175
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 35
- Rotatable Bond Count: 3
- Complexity: 920
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 98
- XLogP3: 5.6
Experimental Properties
- Density: 1.19
- Boiling Point: 626.1°Cat760mmHg
- Flash Point: 346.5°C
- Refractive Index: 1.582
Olean-12-en-28-oicacid, 2,3,23-trihydroxy-, (2a,3b,4b)- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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