Cas no 119708-41-7 (27-Norurs-14-ene-3,28-diol,13-methyl-, (3a,13a)- (9CI))
119708-41-7 structure
Product Name:27-Norurs-14-ene-3,28-diol,13-methyl-, (3a,13a)- (9CI)
CAS No:119708-41-7
MF:C30H50O2
MW:442.716809749603
CID:183353
PubChem ID:195318
Update Time:2025-04-19
27-Norurs-14-ene-3,28-diol,13-methyl-, (3a,13a)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 27-Norurs-14-ene-3,28-diol,13-methyl-, (3a,13a)- (9CI)
- tamarixol
- (3R,6aS,6bR,8aR,11S,12S,12aR,14aS,14bR)-8a-(hydroxymethyl)-4,4,6a,11,12,14b-hexamethyl-10-methylidenedocosahydropicen-3-ol
- (3S,4aR,6aR,8aS,11R,12S,12aS,12bS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,11,12,12b,14b-heptamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol
- D-Friedours-14-ene-3,28-diol, (3alpha)-
- 8a-(Hydroxymethyl)-4,4,6a,11,12,14b-hexamethyl-10-methylidenedocosahydropicen-3-ol
- 119708-41-7
- DTXSID80923086
- (3R,6aS,6bR,8aR,11S,12S,12aR,14aS,14bR)-8a-(hydroxymethyl)-4,4,6a,11,12,14b-hexamethyl-10-methylidene-2,3,4a,5,6,6a,6b,7,8,9,11,12,12a,13,14,14a-hexadecahydro-1H-picen-3-ol
-
- Inchi： 1S/C30H50O2/c1-18-16-30(17-31)15-10-22-21(26(30)20(3)19(18)2)8-9-24-28(22,6)13-11-23-27(4,5)25(32)12-14-29(23,24)7/h19-26,31-32H,1,8-17H2,2-7H3/t19-,20+,21?,22-,23?,24+,25-,26-,28+,29+,30+/m1/s1
- InChI Key： SEMDMGSTKZEUNY-DSNHVYDHSA-N
- SMILES： O[C@@H]1CC[C@@]2(C)C(C1(C)C)CC[C@@]1(C)[C@@H]3CC[C@@]4(CO)CC(=C)[C@@H](C)[C@H](C)[C@@H]4C3CC[C@@H]12
Computed Properties
- Exact Mass: 442.381080833g/mol
- Monoisotopic Mass: 442.381080833g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 32
- Rotatable Bond Count: 1
- Complexity: 771
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.6
- Topological Polar Surface Area: 40.5?2
27-Norurs-14-ene-3,28-diol,13-methyl-, (3a,13a)- (9CI) Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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M. A. Piechowiak,A. Videcoq,R. Ferrando,D. Bochicchio,C. Pagnoux,F. Rossignol Phys. Chem. Chem. Phys., 2012,14, 1431-1439
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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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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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