Cas no 75503-03-6 (A'-Neo-25,28,30-trinorgammacerane,(21b)- (9CI))
75503-03-6 structure
Product Name:A'-Neo-25,28,30-trinorgammacerane,(21b)- (9CI)
CAS No:75503-03-6
MF:C27H46
MW:370.654148578644
CID:558954
PubChem ID:90475892
Update Time:2025-04-19
A'-Neo-25,28,30-trinorgammacerane,(21b)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- A'-Neo-25,28,30-trinorgammacerane,(21b)- (9CI)
- 1H-Cyclopenta[a]chrysene,A'-neo-25,28,30-trinorgammacerane deriv.
- 17BETA(H),21ALPHA(H)-25,28,30-TRISNORHOPANE
- 17?(H),21Α(H)-25,28,30-TRISNORHOPANE
- 17?(H),21α(H)-25,28,30-Trisnorhopaneneat
- (3R,3aS,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
- 75503-03-6
-
- 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
- InChI Key： RXWTZKSVUZWHDP-UHFFFAOYSA-N
- SMILES： CCC1C2CCC3(C4(C(C5C(CC4)C(C)(C)CCC5)CCC3C2CC1)C)C
Computed Properties
- Exact Mass: 370.359951467g/mol
- Monoisotopic Mass: 370.359951467g/mol
- 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
- XLogP3: 10.4
- Topological Polar Surface Area: 0?2
Experimental Properties
- LogP: 8.10770
A'-Neo-25,28,30-trinorgammacerane,(21b)- (9CI) Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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