50588-42-6

Name 17-Acetoxy-5a-androsta-2,16-diene
CAS 50588-42-6
EINECS(EC#) 610-545-1
Molecular Formula C21H30O2
MDL Number MFCD00271146
Molecular Weight 314.46
MOL File 50588-42-6.mol
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Chemical Properties

Boiling point  413.2±45.0 °C(Predicted)
density  1.07
vapor pressure  0.001Pa at 25℃
storage temp.  Sealed in dry,2-8°C
solubility  Chloroform (Sparingly), Methanol (Slightly)
form  Powder
InChI InChI=1/C21H30O2/c1-14(22)23-19-10-9-17-16-8-7-15-6-4-5-12-20(15,2)18(16)11-13-21(17,19)3/h4-5,10,15-18H,6-9,11-13H2,1-3H3/t15-,16+,17+,18+,20+,21+/s3
InChIKey PEPMRHLQYPCJPR-ISHWDHFHNA-N
SMILES C1C[C@@]2([H])[C@](C)(CC=1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(OC(C)=O)=CC3)CC2 |&1:2,4,8,10,12,14,r|
LogP 7.9 at 35℃ and pH7

Safety Data

Symbol(GHS)  Health Hazard (GHS08)Exclamation Mark (GHS07)
GHS08,GHS07
Signal word  Warning
Hazard statements  H341-H335-H315-H319-H361-H351
Precautionary statements  P201-P202-P281-P308+P313-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P201-P202-P281-P308+P313-P405-P501-P201-P202-P281-P308+P313-P405-P501-P264-P280-P305+P351+P338-P337+P313P
REACH Registrations Active

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