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Home CSSS00161002265

(4aS,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-11-hydroxy-9-(hydroxymethyl)-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Structure Info

Chemspace ID
CSSS00161002265 (In-Stock Screening Compounds)
CAS
171864-20-3
MFCD
MFCD28100309
IUPAC Name
(4aS,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-11-hydroxy-9-(hydroxymethyl)-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
Mol formula
C39H54O7
Mol weight
635 Da
Catalog Number(s)
AA00ANRJ, AD274192, AG00ANUB, AR00AOJB, ArZ-UP484745, BBP03396, CFN96829, CSC161002265, HY-N1856, LN05335295, TN2970, Y3316426, ZX-CY006521

Properties

LogP
6.97
Heavy atoms count
46
Rotatable bond count
6
Number of rings
6
Carbon bond saturation, Fsp3
0.692
Polar surface area (Å)
124
Hydrogen bond acceptors count
6
Hydrogen bond donors count
4

SDS

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C39H54O7
Zoom the structure
CSSS00161002265
 

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