Cas no 108657-25-6 (Urs-12-en-28-oic acid,2,3,7,19-tetrahydroxy-, (2a,3a,7b)- (9CI))
108657-25-6 structure
Product Name:Urs-12-en-28-oic acid,2,3,7,19-tetrahydroxy-, (2a,3a,7b)- (9CI)
CAS No:108657-25-6
MF:C30H48O6
MW:504.698530197144
CID:143340
PubChem ID:176091
Update Time:2025-04-19
Urs-12-en-28-oic acid,2,3,7,19-tetrahydroxy-, (2a,3a,7b)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Urs-12-en-28-oic acid,2,3,7,19-tetrahydroxy-, (2a,3a,7b)- (9CI)
- (1R,2R,4aS,6aR,6aR,6bR,7S,10S,11R,12aS,14bR)-1,7,10,11-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
- roxburic acid
- (2alpha,3alpha,5xi,7beta,18alpha)-2,3,7,19-tetrahydroxyurs-12-en-28-oic acid
- 2,3,7,19-Tetrahydroxyurs-12-en-28-oic acid
- Urs-12-en-28-oic acid, 2,3,7,19-tetrahydroxy-, (2beta,3alpha,7beta)-
- DTXSID30910805
- 108657-25-6
-
- Inchi： 1S/C30H48O6/c1-16-10-11-30(24(34)35)13-12-27(5)17(22(30)29(16,7)36)8-9-19-26(4)15-18(31)23(33)25(2,3)20(26)14-21(32)28(19,27)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18-,19-,20?,21+,22+,23-,26-,27-,28+,29-,30+/m1/s1
- InChI Key： OTMKLLGULDKXFS-DSZNRGTLSA-N
- SMILES： O[C@H]1CC2C(C)(C)[C@@H]([C@@H](C[C@]2(C)[C@H]2CC=C3[C@H]4[C@@](C)([C@H](C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@@]21C)O)O)O
Computed Properties
- Exact Mass: 504.34508925g/mol
- Monoisotopic Mass: 504.34508925g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 36
- Rotatable Bond Count: 1
- Complexity: 990
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 11
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.6
- Topological Polar Surface Area: 118?2
Urs-12-en-28-oic acid,2,3,7,19-tetrahydroxy-, (2a,3a,7b)- (9CI) Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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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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