Cas no 100897-87-8 (Olean-12-en-29-oicacid, 3,22-dihydroxy-, (3b,22a)- (9CI))
100897-87-8 structure
Product Name:Olean-12-en-29-oicacid, 3,22-dihydroxy-, (3b,22a)- (9CI)
CAS No:100897-87-8
MF:C30H48O4
MW:472.699729919434
CID:185886
PubChem ID:127707
Update Time:2025-04-19
Olean-12-en-29-oicacid, 3,22-dihydroxy-, (3b,22a)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Olean-12-en-29-oicacid, 3,22-dihydroxy-, (3b,22a)- (9CI)
- (4S,4aR,6aS,6aS,6bR,8aS,10S,12aS,14bR)-4,10-dihydroxy-2,4a,6a,6b,9,9,1 2a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen e-2-carboxylic acid
- (3beta,22alpha)-3,22-dihydroxyolean-12-en-29-oic acid
- 3,22-Dihydroxyolean-12-en-29-oic acid
- Olean-12-en-29-oic acid, 3,22-dihydroxy-, (3beta,22alpha)-
- Triptotriterpenic acid A
- 100897-87-8
- DTXSID40905828
- (4S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
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- Inchi： 1S/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23-,26?,27+,28-,29+,30+/m0/s1
- InChI Key： JTBGJQZJEYVBJZ-NRTDWLMYSA-N
- SMILES： O[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C)[C@H](CC(C(=O)O)(C)C[C@H]4C3=CC[C@@H]12)O
Computed Properties
- Exact Mass: 472.35526g/mol
- Monoisotopic Mass: 472.35526g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 1
- Complexity: 923
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 472.7g/mol
- XLogP3: 6.1
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- Density: 1.14
- Boiling Point: 584.1°Cat760mmHg
- Flash Point: 321.1°C
- Refractive Index: 1.568
Olean-12-en-29-oicacid, 3,22-dihydroxy-, (3b,22a)- (9CI) Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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