Cas no 53584-60-4 (A'-Neo-30-norgammacerane,(17a)-)
53584-60-4 structure
Product Name:A'-Neo-30-norgammacerane,(17a)-
CAS No:53584-60-4
MF:C29H50
MW:398.707309246063
CID:382547
PubChem ID:14283220
Update Time:2025-04-19
A'-Neo-30-norgammacerane,(17a)- Chemical and Physical Properties
Names and Identifiers
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- A'-Neo-30-norgammacerane,(17a)-
- 17ALPHA(H),21BETA(H)-30-NORHOPANE
- 17Α(H),21?(H)-30-NORHOPANE
- 17α(H),21?(H)-30-Norhopane50μg
- 17α(H),21β(H),29-norhopane
- 17α(H),21β(H)-29-Norhopane
- 17α(H),21β(H)-30-Norhopane
- 17α(H),21β(H)-Norhopane
- 17α[H]-21β[H]-29-norhopane
- 28-NOR-17.α.(H)-HOPANE
- 29-Nor-(17αH,21βH)-hopan
- 30-Nor-17α-hopanane
- DTXSID301025703
- 17A(H),21SS(H)-30-NORHOPAN
- 53584-60-4
- (17alpha)-A'-Neo-30-norgammacerane
- (3S,3Ar,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-3-ethyl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
-
- Inchi： 1S/C29H50/c1-8-20-12-17-26(4)21(20)13-18-28(6)23(26)10-11-24-27(5)16-9-15-25(2,3)22(27)14-19-29(24,28)7/h20-24H,8-19H2,1-7H3/t20-,21+,22-,23+,24+,26-,27-,28+,29+/m0/s1
- InChI Key： XKJROQIFLGXWEY-RWRWHMSNSA-N
- SMILES： [C@@]12(C)CC[C@@H]3[C@@H](CC)CC[C@]3(C)[C@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C
Computed Properties
- Exact Mass: 398.39100
- Monoisotopic Mass: 398.391252
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 29
- Rotatable Bond Count: 1
- Complexity: 661
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 9
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0
- XLogP3: 11.2
Experimental Properties
- Density: 0.923
- Boiling Point: 447.6°Cat760mmHg
- Flash Point: 215.7°C
- PSA: 0.00000
- LogP: 8.88790
A'-Neo-30-norgammacerane,(17a)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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