Cas no 114020-41-6 (24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3-hydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9b,13a,20a)- (9CI))
114020-41-6 structure
Product Name:24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3-hydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9b,13a,20a)- (9CI)
CAS No:114020-41-6
MF:C30H38O4
MW:462.620329380035
CID:206367
PubChem ID:188842
Update Time:2025-04-19
24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3-hydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9b,13a,20a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3-hydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9b,13a,20a)- (9CI)
- 24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3-hydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9b,13a,20a)-
- 114020-41-6
- methyl 10-hydroxy-2,4a,6,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,11,12b,13,14,14a,14b-dodecahydropicene-2-carboxylate
- DTXSID40921260
- Vitideasin
- Netzahualcoyene
-
- Inchi： 1S/C30H38O4/c1-17-15-27(3)10-11-28(4,26(33)34-7)16-23(27)30(6)13-12-29(5)20(24(17)30)9-8-19-18(2)25(32)22(31)14-21(19)29/h8-9,14,23,32H,10-13,15-16H2,1-7H3
- InChI Key： CMKHWUBEVSIFHL-UHFFFAOYSA-N
- SMILES： O(C)C(C1(C)CCC2(C)CC(C)=C3C4=CC=C5C(C)=C(C(C=C5C4(C)CCC3(C)C2C1)=O)O)=O
Computed Properties
- Exact Mass: 462.27714
- Monoisotopic Mass: 462.27701
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 2
- Complexity: 1180
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.6
- XLogP3: 5
Experimental Properties
- Density: 1.18
- Boiling Point: 633.4°Cat760mmHg
- Flash Point: 205.9°C
- Refractive Index: 1.592
- PSA: 63.6
24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3-hydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9b,13a,20a)- (9CI) Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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