Cas no 120090-56-4 (3-Hydroxy-2-oxo-3-friedelen-20α-carboxylic acid)
120090-56-4 structure
Product Name:3-Hydroxy-2-oxo-3-friedelen-20α-carboxylic acid
CAS No:120090-56-4
MF:C30H46O4
MW:470.683849811554
CID:2019635
PubChem ID:168432606
Update Time:2025-04-21
3-Hydroxy-2-oxo-3-friedelen-20α-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 3-Hydroxy-2-oxo-3-friedelen-20α-carboxylic acid
- 3-hydroxy-2-oxo-D:A-friedoolean-3-en-29-oic acid
- 3-hydroxy-2-oxofriedelan-3-ene-20-alpha-carboxylic acid
- 3-Hydroxy-2-oxofriedelan-3-ene-20alpha-carboxylic acid
- Populninic acid
- FS-7322
- 120090-56-4
-
- Inchi: 1S/C30H46O4/c1-18-23(32)19(31)16-21-27(18,4)9-8-20-28(21,5)13-15-30(7)22-17-26(3,24(33)34)11-10-25(22,2)12-14-29(20,30)6/h20-22,32H,8-17H2,1-7H3,(H,33,34)/t20-,21+,22+,25+,26+,27-,28+,29+,30-/m0/s1
- InChI Key: GAECCODNECFMOD-KKGKWTHPSA-N
- SMILES: OC1C(C[C@@H]2[C@](C)(C=1C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C(=O)O)(C)CC[C@]3(C)CC[C@@]21C)=O
Computed Properties
- Exact Mass: 470.33960994g/mol
- Monoisotopic Mass: 470.33960994g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 1
- Complexity: 982
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.5
- Topological Polar Surface Area: 74.6?2
3-Hydroxy-2-oxo-3-friedelen-20α-carboxylic acid Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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