17-Iodoandrosta-5,16-dien-3beta-ol
Properties
- Molecular formula
- C19H27IO
- Molar mass
- 398.33 g/mol
- Exact mass
- 398.1107 Da
- logP
- 5.24Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
- Stereocentres
- R, S, R, S, S, Sin SMILES atom order
Hazards
Danger
- H317 May cause an allergic skin reaction33.3% of notifiers
- H360 May damage fertility or the unborn child33.3% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure33.3% of notifiers
- H400 Very toxic to aquatic life33.3% of notifiers
- H410 Very toxic to aquatic life with long lasting effects33.3% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P264, P270, P272, P273, P280, P302+P352, P318, P319, P321, P333+P317, P362+P364, P391, P405, P501
Identifiers
CAS number
32138-69-5SMILES
C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4I)C)OInChIKey
DHZJEYGWSNDRGN-USOAJAOKSA-NInChI
InChI=1S/C19H27IO/c1-18-9-7-13(21)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,6,13-16,21H,4-5,7-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta(a)phenanthren-3-ol
Work with 17-Iodoandrosta-5,16-dien-3beta-ol
Similar compounds
16-Dehydropregnenolone1162-53-465 % similar
Dehydroepiandrosterone53-43-064 % similar
Androstenediol521-17-563 % similar
(3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate114611-53-962 % similar
Methandriol521-10-862 % similar
Androstenone hydrazone63015-10-160 % similar
Abiraterone154229-19-358 % similar
Abiraterone-D42122245-62-757 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds