 Home > Encyclopedia > [(2R,4S,4aR,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,3,4-trihydroxy-6-methylbenzoate

[(2R,4S,4aR,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,3,4-trihydroxy-6-methylbenzoate

[(2R,4S,4aR,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,3,4-trihydroxy-6-methylbenzoate structure

CAS No:
96571-13-0
Formula:
C23H30O7
Chemical Name:
[(2R,4S,4aR,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,3,4-trihydroxy-6-methylbenzoate
Synonyms:
Judeol;96571-13-0;(2r,4s,4ar,7as,7br)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,6,7,7a,7b-octahydro-1h-cyclobuta[e]inden-2-yl 2,3,4-trihydroxy-6-methylbenzoate;DTXSID90242331;CHEBI:175344;[(2R,4S,4aR,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,3,4-trihydroxy-6-methylbenzoate;Benzoic acid, 2,4,?-trihydroxy-6-methyl-, 2,4,4a,5,6,7,7a,7b-octahydro-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut(e)inden-2-yl ester, (2R-(2alpha,4alpha,4aalpha,7aalpha,7bbeta))-

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Description

Judeol is a sesquiterpenoid and a benzoate ester.

[(2R,4S,4aR,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,3,4-trihydroxy-6-methylbenzoate Basic Attributes

Molecular Weight：

418.5 g/mol

Exact Mass：

418.19915329 g/mol

DSSTox ID：

DTXSID90242331

Characteristics

PSA：

127 Å²

Computed Properties

Molecular Weight:418.5
XLogP3:3.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:418.19915329
Monoisotopic Mass:418.19915329
Topological Polar Surface Area:127
Heavy Atom Count:30
Complexity:746
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: barium hydroxide; sodium amytal; 2-pentanol; nickel bisulphate formula; na3po4; benzoic acid msds

Guide of [(2R,4S,4aR,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,3,4-trihydroxy-6-methylbenzoate

Description
Basic Attributes
Characteristics
Computed Properties

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