Cas no 27530-78-5 (Hetisan-11,15-diol, (11b,15b)-)
27530-78-5 structure
Product Name:Hetisan-11,15-diol, (11b,15b)-
CAS No:27530-78-5
MF:C20H27NO2
MW:313.433885812759
CID:273395
PubChem ID:160150
Update Time:2025-04-19
Hetisan-11,15-diol, (11b,15b)- Chemical and Physical Properties
Names and Identifiers
-
- Hetisan-11,15-diol, (11b,15b)-
- kobusine
- Hetisan-11,15-diol, (11-beta,15-beta)-
- (1S, 5R, 9S, 11R, 13R, 16S, 17R, 18S, 19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01, 8.05, 17.07, 16.09, 14.014, 18]nonadecane-13, 19-diol
- BRN 0036135
- (1S,5R,9S,11R,13R,16S,17R,18S,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-13,19-diol
- 27530-78-5
- 4-21-00-02341 (Beilstein Handbook Reference)
- Hetisan-11,15-diol
- DTXSID40950212
- Hetisan-11-beta,15-beta-diol
- 5-Methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-13,19-diol
- NSC624756
- methyl(methylene)[?]diol
-
- Inchi： 1S/C20H27NO2/c1-9-10-6-11-16-19-5-3-4-18(2)8-21(16)12(14(18)19)7-20(11,17(9)23)15(19)13(10)22/h10-17,22-23H,1,3-8H2,2H3/t10-,11-,12+,13+,14-,15+,16?,17-,18+,19+,20?/m1/s1
- InChI Key： SYQIMSBCRURKCZ-FUUSBGSBSA-N
- SMILES： O[C@H]1[C@H]2C(=C)[C@H](C34C[C@H]5[C@@H]6[C@@]7(C)CCC[C@]6([C@@H]31)C([C@H]4C2)N5C7)O
Computed Properties
- Exact Mass: 313.204
- Monoisotopic Mass: 313.204
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 0
- Complexity: 677
- 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: 1.5
- Topological Polar Surface Area: 43.7?2
Experimental Properties
- Density: 1.37
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.684
- PSA: 43.70000
- LogP: 1.73110
Hetisan-11,15-diol, (11b,15b)- Related Literature
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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