Cas no 79355-89-8 (2α,3β,19α-Trihydroxyolean-12-ene-24,28-dioic acid)
79355-89-8 structure
Product Name:2α,3β,19α-Trihydroxyolean-12-ene-24,28-dioic acid
CAS No:79355-89-8
MF:C30H46O7
MW:518.682050228119
CID:1799928
Update Time:2024-03-01
2α,3β,19α-Trihydroxyolean-12-ene-24,28-dioic acid Chemical and Physical Properties
Names and Identifiers
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- 2α,3β,19α-Trihydroxyolean-12-ene-24,28-dioic acid
- Bartogenic acid
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- Inchi： 1S/C30H46O7/c1-25(2)11-13-30(24(36)37)14-12-27(4)16(20(30)22(25)33)7-8-18-26(3)15-17(31)21(32)29(6,23(34)35)19(26)9-10-28(18,27)5/h7,17-22,31-33H,8-15H2,1-6H3,(H,34,35)(H,36,37)/t17-,18-,19-,20-,21+,22+,26-,27-,28-,29-,30+/m1/s1
- InChI Key： BBJQJXRZAZWPBL-AOVBODNOSA-N
- SMILES： O([H])[C@@]1([H])[C@@]([H])(C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])([C@]1(C(=O)O[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@@]1(C([H])([H])[H])[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]4(C(=O)O[H])C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])([C@@]4([H])C3=C([H])C([H])([H])[C@@]12[H])O[H])O[H]
Computed Properties
- Exact Mass: 518.324
- Monoisotopic Mass: 518.324
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 37
- Rotatable Bond Count: 2
- Complexity: 1050
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 11
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 135A^2
- XLogP3: 4.934
2α,3β,19α-Trihydroxyolean-12-ene-24,28-dioic acid Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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2. 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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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
79355-89-8 (2α,3β,19α-Trihydroxyolean-12-ene-24,28-dioic acid) Related Products
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