Cas no 113579-07-0 (24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3,21-dihydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9b,13a,20a,21b)- (9CI))
113579-07-0 structure
Product Name:24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3,21-dihydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9b,13a,20a,21b)- (9CI)
CAS No:113579-07-0
MF:C30H38O5
MW:478.61972951889
CID:177024
PubChem ID:188774
Update Time:2025-04-19
24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3,21-dihydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9b,13a,20a,21b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3,21-dihydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9b,13a,20a,21b)- (9CI)
- 24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3,21-dihydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9b,13a,
- methyl 3,10-dihydroxy-2,4a,6,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,11,12b,13,14,14a,14b-dodecahydropicene-2-carboxylate
- 113579-07-0
- 24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oic acid, 3,21-dihydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9beta,13alpha,20alpha,21beta)-
- DTXSID30921118
- Netzahualcoyonol
- AKOS040746154
- D:A-Friedo-24,26-dinoroleana-1(10),3,5,7,14-pentaen-29-oic acid, 3,21-dihydroxy-15-methyl-2-oxo-, methyl ester, (20alpha,21beta)-
-
- Inchi： 1S/C30H38O5/c1-16-13-27(3)15-23(32)30(6,26(34)35-7)14-22(27)29(5)11-10-28(4)19(24(16)29)9-8-18-17(2)25(33)21(31)12-20(18)28/h8-9,12,22-23,32-33H,10-11,13-15H2,1-7H3
- InChI Key： AKILTDMBUDIAST-UHFFFAOYSA-N
- SMILES： OC1C(C(=O)OC)(C)CC2C3(C)CCC4(C)C5=CC(C(=C(C)C5=CC=C4C3=C(C)CC2(C)C1)O)=O
Computed Properties
- Exact Mass: 478.27204
- Monoisotopic Mass: 478.272
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 35
- Rotatable Bond Count: 2
- Complexity: 1210
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 6
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 83.8?2
Experimental Properties
- Density: 1.23
- Boiling Point: 668.5°Cat760mmHg
- Flash Point: 218.2°C
- Refractive Index: 1.605
- PSA: 83.83
24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3,21-dihydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9b,13a,20a,21b)- (9CI) Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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