|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene , 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene , 17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
|
| Smiles: |
CC[C@H](C(C)C)CC[C@H]([C@@H]1CC[C@@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@@]1(C)CCC=C2)C
|
| InChi : |
InChI=1S/C29H48/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h8,10,13,20-22,24-27H,7,9,11-12,14-19H2,1-6H3/t21-,22+,24-,25+,26+,27-,28-,29+/m1/s1
|
| InChi Key : |
InChIKey=ICCTZARHLGPHMT-RJKJBILSSA-N
|
| PubChem ID : |
525918
|
|
|
|
| Rotatable bond count : |
6
|
Rule of five : |
1
|
| Hydrogen bond acceptor count : |
0
|
Ionization potential : |
8.641520
|
| Hydrogen bond donor count : |
0
|
Electric dipole moment : |
0.788
|
| XLogP : |
13.566
|
VDW volume : |
455.441261
|
| Molecular weight : |
396.375602
|
HOMO-LUMO gap : |
9.201000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|