Chemical Properties of Solanidan-3-ol, (3«beta»,5«alpha»)- (CAS 474-08-8)

InChI

InChI=1S/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3/t16?,17?,18?,19-,20?,21?,22?,23?,24?,25?,26?,27?/m1/s1

InChI Key

JALVTHFTYRPDMB-ICOJOGTOSA-N

Formula

C27H45NO

SMILES

CC1CCC2C(C)C3C(CC4C5CCC6CC(O)CCC6(C)C5CCC43C)N2C1

Molecular Weight¹

399.65

CAS

474-08-8

Other Names

(22R,25S)-5«alpha»-Solanidan-3«beta»-ol
Demissidin
Demissidine
22R,25S-5«alpha»-Solanidanine-3«beta»-ol
5«alpha»-Solanidan-3«beta»-ol
5«alpha»-Solanidan-3«beta»-ol, (22R,25S)-
(22S,25S)-5-«alpha»-Solanidanine-3-«beta»-ol
(22S,25S)-5-«alpha»-Solanidan-3-«beta»-ol

log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
I_np : Non-polar retention indices.
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
log₁₀WS	-6.49		Crippen Calculated Property
logP_oct/wat	5.735		Crippen Calculated Property
McVol	341.980	ml/mol	McGowan Calculated Property
I_np	[3137.00; 3137.00]
I_np	3137.00		NIST
I_np	3137.00		NIST

Similar Compounds

Find more compounds similar to Solanidan-3-ol, (3«beta»,5«alpha»)-.

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