Cas no 72933-75-6 (Oleana-11,13(18)-dien-28-oicacid, 3-hydroxy-21-oxo-, (3a)-)
72933-75-6 structure
Product Name:Oleana-11,13(18)-dien-28-oicacid, 3-hydroxy-21-oxo-, (3a)-
CAS No:72933-75-6
MF:C30H44O4
MW:468.667969703674
CID:567965
PubChem ID:3081568
Update Time:2025-04-19
Oleana-11,13(18)-dien-28-oicacid, 3-hydroxy-21-oxo-, (3a)- Chemical and Physical Properties
Names and Identifiers
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- Oleana-11,13(18)-dien-28-oicacid, 3-hydroxy-21-oxo-, (3a)-
- (4aR,6aR,6aS,6bR,8aR,10R,12aS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12-decahydro-1H-picene-4a-carboxylic acid
- papyriogenin C
- Oleana-11,13(18)-dien-28-oic acid, 3-hydroxy-21-oxo-, (3alpha)-
- 72933-75-6
- DTXSID10993712
- 3-Hydroxy-21-oxooleana-11,13(18)-dien-28-oic acid
-
- Inchi： 1S/C30H44O4/c1-25(2)16-19-18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,7)28(18,6)14-15-30(19,24(33)34)17-23(25)32/h8-9,20-22,31H,10-17H2,1-7H3,(H,33,34)/t20-,21+,22+,27-,28+,29+,30+/m0/s1
- InChI Key： AWCDPINIVCMMLX-NINJPWCBSA-N
- SMILES： O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)CC(C(C)(C)CC5=C4C=C[C@@H]32)=O)C1(C)C
Computed Properties
- Exact Mass: 468.32395988g/mol
- Monoisotopic Mass: 468.32395988g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 1
- Complexity: 1020
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.5
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- Density: 1.15
- Boiling Point: 596.4°C at 760 mmHg
- Flash Point: 328.5°C
- Refractive Index: 1.573
Oleana-11,13(18)-dien-28-oicacid, 3-hydroxy-21-oxo-, (3a)- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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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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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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