Cas no 64543-32-4 (Velutinic acid)
Velutinic acid structure
Product Name:Velutinic acid
CAS No:64543-32-4
MF:C30H48O4
MW:472.699729919434
CID:518883
Update Time:2024-03-01
Velutinic acid Chemical and Physical Properties
Names and Identifiers
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- 24,25,26-Trinoroleanan-28-oicacid, 21-hydroxy-5,9,13-trimethyl-3-oxo-, (4b,5b,8a,9b,10a,13a,14b,21a)- (9CI)
- 4a(2H)-Picenecarboxylic acid,eicosahydro-3-hydroxy-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-,(3R,4aR,6aR,6bS,8aS,9R,12aS,12bS,14aS,14bS)-
- D:A-Friedooleanan-28-oicacid, 21-hydroxy-3-oxo-, (21a)-
- Velutinic acid
- CID 101967044
- (3R,4aR,6aR,6bS,8aS,9R,12aS,12bS,14aS,14bS)-3-hydroxy-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxo-docosahydropicene-4a-carboxylic acid
- 21α-Hydroxy-3-oxo-D:A-friedooleanan-28-oic acid
-
- Inchi： 1S/C30H48O4/c1-18-19(31)8-9-20-26(18,4)11-10-21-27(20,5)12-13-29(7)22-16-25(2,3)23(32)17-30(22,24(33)34)15-14-28(21,29)6/h18,20-23,32H,8-17H2,1-7H3,(H,33,34)/t18-,20+,21-,22-,23+,26+,27-,28+,29-,30+/m0/s1
- InChI Key： KSJCZTNTOLZGML-GPQXXNCHSA-N
- SMILES： O[C@H]1C(C)(C)C[C@@H]2[C@](C(=O)O)(C1)CC[C@]1(C)[C@H]3CC[C@]4(C)[C@@H](C)C(CC[C@H]4[C@]3(C)CC[C@]12C)=O
Computed Properties
- Exact Mass: 472.355
- Monoisotopic Mass: 472.355
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 1
- Complexity: 910
- 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
- Topological Polar Surface Area: 74.6
Velutinic acid Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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