Cas no 52592-14-0 (APHIDICOLIN, 19-NOR)
APHIDICOLIN, 19-NOR structure
Product Name:APHIDICOLIN, 19-NOR
CAS No:52592-14-0
MF:C19H30O3
MW:306.439706325531
CID:937154
PubChem ID:434560
Update Time:2025-04-19
APHIDICOLIN, 19-NOR Chemical and Physical Properties
Names and Identifiers
-
- APHIDICOLIN, 19-NOR
- 52592-14-0
- NSC-351909
- 123355-76-0
- DTXSID00924474
- 9-Hydroxy-9-(hydroxymethyl)-4,11b-dimethyldodecahydro-8,11a-methanocyclohepta[a]naphthalen-3(2H)-one
- 13-hydroxy-13-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-5-one
- NSC351909
-
- Inchi： 1S/C19H30O3/c1-12-15-4-3-13-9-14-10-18(13,7-8-19(14,22)11-20)17(15,2)6-5-16(12)21/h12-15,20,22H,3-11H2,1-2H3
- InChI Key： UKNWQIREDRCBQI-UHFFFAOYSA-N
- SMILES： OC1(CO)CCC23CC1CC2CCC1C(C)C(CCC31C)=O
Computed Properties
- Exact Mass: 306.21900
- Monoisotopic Mass: 306.21949481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 503
- 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: 2.5
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53000
- LogP: 2.93150
APHIDICOLIN, 19-NOR Related Literature
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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