(3Beta)-stigmast-5-en-3-yl benzoate

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Catalog Number
ACM1900523
Product Name
(3Beta)-stigmast-5-en-3-yl benzoate
Structure
Structure
CAS
1900-52-3
Category
Heterocyclic Organic Compound
Synonyms
(3|A)-stigmast-5-en-3-yl benzoate, 1900-52-3, AC1L2SBA, CTK4E0284, KST-1A2425, EINECS 217-597-0, AR-1A4928, (3beta)-Stigmast-5-en-3-yl benzoate, AG-E-38750, Stigmast-5-en-3-ol,3-benzoate, (3b)-, [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate, Stigmast-5-en-3-ol,benzoate, (3b)-(9CI); Stigmast-5-en-3b-ol, benzoate (8CI); b-Sitosterol, benzoate (6CI,7CI); 3b-Benzoyl-b-sitosterol; Nimbosterol, benzoate; Phellodendron sterol B, benzoate;Sitosterol benzoate; Sitosteryl benzoate
IUPAC Name
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
Molecular Weight
518.812760 [g/mol]
Molecular Formula
C36H54O2
Canonical SMILES
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)C)C(C)C
InChI Key
WFQRUMHMFCGSRO-XKKOIZAZSA-N
Boiling Point
582.5ºC at 760mmHg
Flash Point
260.4ºC
Density
1.02g/cm³
EC Number
217-597-0
Exact Mass
518.41200
H-Bond Acceptor
2
H-Bond Donor
0
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