Cas no 76571-91-0 (2-Chrysenol,7-chlorooctadecahydro-4a,6a,8-trimethyl-,(2R,4aS,4bS,6aS,7S,8R,10aS,10bR,12aR)-)
76571-91-0 structure
Product Name:2-Chrysenol,7-chlorooctadecahydro-4a,6a,8-trimethyl-,(2R,4aS,4bS,6aS,7S,8R,10aS,10bR,12aR)-
CAS No:76571-91-0
MF:C21H35ClO
MW:338.955005884171
CID:568820
PubChem ID:195950
Update Time:2025-04-19
2-Chrysenol,7-chlorooctadecahydro-4a,6a,8-trimethyl-,(2R,4aS,4bS,6aS,7S,8R,10aS,10bR,12aR)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Chrysenol,7-chlorooctadecahydro-4a,6a,8-trimethyl-,(2R,4aS,4bS,6aS,7S,8R,10aS,10bR,12aR)-
- 17-methyl-17a-chloro-D-homoandrostan-3-ol
- 7-Chloro-4a,6a,8-trimethyloctadecahydrochrysen-2-ol
- 76571-91-0
- 17-Mchao
- D-Homoandrostan-3-ol, 17a-chloro-17-methyl-, (3alpha,5beta,17alpha,17abeta)-
- DTXSID10997912
- 17alpha-Methyl-17abeta-chloro-D-homo-5beta-androstan-3alpha-ol
-
- Inchi： 1S/C21H35ClO/c1-13-4-7-17-16-6-5-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,3)19(13)22/h13-19,23H,4-12H2,1-3H3/t13-,14-,15-,16+,17+,18+,19+,20+,21+/m1/s1
- InChI Key： UMWMKSFDTADRMB-YAWPOEEYSA-N
- SMILES： Cl[C@H]1[C@H](C)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](C[C@H]3CC[C@H]12)O
Computed Properties
- Exact Mass: 338.238
- Monoisotopic Mass: 338.238
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 23
- Rotatable Bond Count: 0
- Complexity: 465
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.4
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 1.08
- Boiling Point: 435.5°C at 760 mmHg
- Flash Point: 217.2°C
- Refractive Index: 1.535
2-Chrysenol,7-chlorooctadecahydro-4a,6a,8-trimethyl-,(2R,4aS,4bS,6aS,7S,8R,10aS,10bR,12aR)- Related Literature
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
76571-91-0 (2-Chrysenol,7-chlorooctadecahydro-4a,6a,8-trimethyl-,(2R,4aS,4bS,6aS,7S,8R,10aS,10bR,12aR)-) Related Products
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