Cas no 85115-38-4 (17alpha(h),21beta(h)-25,28,30-trisnorhopane)
85115-38-4 structure
Product Name:17alpha(h),21beta(h)-25,28,30-trisnorhopane
CAS No:85115-38-4
MF:C27H46
MW:370.654148578644
CID:887536
PubChem ID:102602357
Update Time:2025-04-19
17alpha(h),21beta(h)-25,28,30-trisnorhopane Chemical and Physical Properties
Names and Identifiers
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- 17alpha(h),21beta(h)-25,28,30-trisnorhopane
- 17α(H),21?(H)-25,28,30-Trisnorhopane
- 17α(H),21?(H)-25,28,30-Trisnorhopaneneat
- (3S,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-3-ethyl-5a,5b,8,8-tetramethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11a,11b,12,13,13a,13b-octadecahydrocyclopenta[a]chrysene
- 85115-38-4
-
- Inchi： 1S/C27H46/c1-6-18-9-10-20-19(18)13-16-26(4)23(20)11-12-24-21-8-7-15-25(2,3)22(21)14-17-27(24,26)5/h18-24H,6-17H2,1-5H3/t18-,19+,20-,21-,22+,23+,24+,26+,27+/m0/s1
- InChI Key： RXWTZKSVUZWHDP-OERNKKKFSA-N
- SMILES： [C@@]12(C)CC[C@@H]3[C@@H](CC)CC[C@@H]3[C@H]1CC[C@@H]1[C@H]3CCCC(C)(C)[C@@H]3CC[C@@]21C
Computed Properties
- Exact Mass: 370.36
- Monoisotopic Mass: 370.36
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 27
- Rotatable Bond Count: 1
- Complexity: 575
- 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
- Topological Polar Surface Area: 0A^2
- XLogP3: 10.4
Experimental Properties
- LogP: 8.10770
17alpha(h),21beta(h)-25,28,30-trisnorhopane Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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