Cas no 1634-83-9 (Atidan-15-ol,16,17-didehydro-21-ethyl-4-methyl-, (15b)- (9CI))
1634-83-9 structure
Product Name:Atidan-15-ol,16,17-didehydro-21-ethyl-4-methyl-, (15b)- (9CI)
CAS No:1634-83-9
MF:C22H35NO
MW:329.519406557083
CID:212995
PubChem ID:347387
Update Time:2025-04-19
Atidan-15-ol,16,17-didehydro-21-ethyl-4-methyl-, (15b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Atidan-15-ol,16,17-didehydro-21-ethyl-4-methyl-, (15b)- (9CI)
- 21-ethyl-4-methyl-atid-16-en-15β-ol
- ATISINE, N-DEHYDROXYDIHYDRO-
- ethyl-methyl-methylene-[?]ol
- N-Dehydroxydihydroatisine
- NSC406048
- 1634-83-9
- NSC 406048
- NSC-406048
- 21-Ethyl-4-methylatid-16-en-15-ol
- DTXSID90936824
-
- Inchi： 1S/C22H35NO/c1-4-23-13-20(3)8-5-9-22(14-23)17(20)7-11-21-10-6-16(12-18(21)22)15(2)19(21)24/h16-19,24H,2,4-14H2,1,3H3
- InChI Key： AHLMTXKXKINJFW-UHFFFAOYSA-N
- SMILES： OC1C(=C)C2CCC31CCC1C4(C)CN(CC)CC1(CCC4)C3C2
Computed Properties
- Exact Mass: 329.27205
- Monoisotopic Mass: 329.272
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 1
- Complexity: 572
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 7
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 23.5?2
Experimental Properties
- Density: 1.1
- Boiling Point: 447.6°Cat760mmHg
- Flash Point: 49.7°C
- Refractive Index: 1.574
- PSA: 23.47
- LogP: 4.17980
Atidan-15-ol,16,17-didehydro-21-ethyl-4-methyl-, (15b)- (9CI) Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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