|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
10,13-dimethyl-17-[1-[2-(2-methyl-1-methylene-propyl)cyclopropyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol , 10,13-dimethyl-17-[1-[2-(3-methylbut-1-en-2-yl)cyclopropyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol , 17-[1-[2-(1-isopropylvinyl)cyclopropyl]ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
| Smiles: |
O[C@H]1CC[C@@]2(C(=CC[C@H]3[C@H]2CC[C@@]2([C@@H]3CC[C@H]2[C@@H]([C@H]2C[C@H]2C(=C)C(C)C)C)C)C1)C
|
| InChi : |
InChI=1S/C29H46O/c1-17(2)18(3)23-16-24(23)19(4)25-9-10-26-22-8-7-20-15-21(30)11-13-28(20,5)27(22)12-14-29(25,26)6/h7,17,19,21-27,30H,3,8-16H2,1-2,4-6H3/t19-,21+,22-,23+,24-,25+,26-,27-,28-,29+/m1/s1
|
| InChi Key : |
InChIKey=VXRSMKFDCKIOEE-ALBBBVJASA-N
|
| PubChem ID : |
623160
|
|
|
|
| Rotatable bond count : |
4
|
Rule of five : |
1
|
| Hydrogen bond acceptor count : |
1
|
Ionization potential : |
9.249531
|
| Hydrogen bond donor count : |
1
|
Electric dipole moment : |
2.883
|
| XLogP : |
10.208
|
VDW volume : |
451.875029
|
| Molecular weight : |
410.354866
|
HOMO-LUMO gap : |
10.381000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|