1.0
2020-04-20 18:00:05 UTC
2020-04-21 18:03:02 UTC
FDB112229
13-cis Retinol
C20H30O
286.4516
286.229665582
(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol
13-cis retinol
C\C(=C\CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13-
FPIPGXGPPPQFEQ-HWCYFHEPSA-N
logp
6.38
logs
-4.58
solubility
7.58e-03 g/l
logp
4.69
pka_strongest_acidic
16.44
pka_strongest_basic
-2.2
iupac
(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol
average_mass
286.4516
mono_mass
286.229665582
smiles
C\C(=C\CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
formula
C20H30O
inchi
InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13-
inchikey
FPIPGXGPPPQFEQ-HWCYFHEPSA-N
polar_surface_area
20.23
refractivity
97.92
polarizability
36.28
rotatable_bond_count
5
acceptor_count
1
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::NmrTwoD
2027
Specdb::EiMs
1998
Specdb::CMs
21999
Specdb::CMs
38969
Specdb::CMs
174214
Specdb::MsMs
314854
Specdb::MsMs
314855
Specdb::MsMs
314856
Specdb::MsMs
360676
Specdb::MsMs
360677
Specdb::MsMs
360678
Specdb::MsMs
1218230
Specdb::MsMs
1218231
Specdb::MsMs
1218232
Specdb::MsMs
2702691
Specdb::MsMs
2702692
Specdb::MsMs
2702693
Specdb::MsMs
3002209
Specdb::MsMs
3002210
Specdb::MsMs
3002211
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823