|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R)-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol , (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
| Smiles: |
CC(C/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C)C
|
| InChi : |
InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8-9,18-19,21-25,28H,7,10-17H2,1-5H3/b8-6+/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
|
| InChi Key : |
InChIKey=UPGTYLFCVNHBTN-OFAYOZIESA-N
|
| PubChem ID : |
5283661
|
|
|
|
| Rotatable bond count : |
4
|
Rule of five : |
1
|
| Hydrogen bond acceptor count : |
1
|
Ionization potential : |
9.242579
|
| Hydrogen bond donor count : |
1
|
Electric dipole moment : |
1.720
|
| XLogP : |
9.998
|
VDW volume : |
429.639518
|
| Molecular weight : |
384.339216
|
HOMO-LUMO gap : |
10.491000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|