Cas no 83692-08-4 (28,29-dihydroxyfriedelan-3-one)
83692-08-4 structure
Product Name:28,29-dihydroxyfriedelan-3-one
28,29-dihydroxyfriedelan-3-one Chemical and Physical Properties
Names and Identifiers
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- 24,25,26-Trinoroleanan-3-one,28,29-dihydroxy-5,9,13-trimethyl-, (4b,5b,8a,9b,10a,13a,14b,20a)- (9CI)
- 28,29-dihydroxyfriedelan-3-one
- DTXSID001121425
- (4R,4aS,6aS,6bR,8aR,11R,12aS,12bS,14aS,14bS)-8a,11-bis(hydroxymethyl)-4,4a,6b,11,12b,14a-hexamethylicosahydropicen-3(2H)-one
- Q27134278
- (4R,4aS,6aS,6aS,6bR,8aR,11R,12aS,14aS,14bS)-8a,11-bis(hydroxymethyl)-4,4a,6a,6b,11,14a-hexamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
- 28,29-dihydroxy-D:A-friedooleanan-3-one
- CHEMBL516147
- (4beta,5beta,8alpha,9beta,10alpha,13alpha,14beta,20alpha)-28,29-Dihydroxy-5,9,13-trimethyl-24,25,26-trinoroleanan-3-one
- CHEBI:65788
- 83692-08-4
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- Inchi: 1S/C30H50O3/c1-20-21(33)7-8-22-26(20,3)10-9-23-27(22,4)12-13-29(6)24-17-25(2,18-31)11-15-30(24,19-32)16-14-28(23,29)5/h20,22-24,31-32H,7-19H2,1-6H3/t20-,22+,23-,24-,25+,26+,27-,28+,29-,30+/m0/s1
- InChI Key: ZMSNKXDPESNSSS-CUKXIHTOSA-N
- SMILES: C[C@]12CC[C@]3(CC[C@@](C)(CO)C[C@@]3([H])[C@@]1(CC[C@]1([C@]3([H])CCC(=O)[C@H](C)[C@@]3(C)CC[C@]21[H])C)C)CO
Computed Properties
- Exact Mass: 458.37599545g/mol
- Monoisotopic Mass: 458.37599545g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 33
- Rotatable Bond Count: 2
- Complexity: 823
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.6
- Topological Polar Surface Area: 57.5?2
28,29-dihydroxyfriedelan-3-one 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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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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
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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