Glycerin rosin ester

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Catalog Number
ACM8050315
Product Name
Glycerin rosin ester
CAS
8050-31-5
Category
Heterocyclic Organic Compound
Description
OtherSolid; PelletsLargeCrystals;Hard, yellow to pale amber-coloured solid
Synonyms
Glycerin rosin ester;Rosin glycerol ester
IUPAC Name
2,3-dihydroxypropyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
Molecular Weight
376.5g/mol
Molecular Formula
C23H36O4
Canonical SMILES
CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)OCC(CO)O)C
InChI
InChI=1S/C23H36O4/c1-15(2)16-6-8-19-17(12-16)7-9-20-22(19,3)10-5-11-23(20,4)21(26)27-14-18(25)13-24/h7,12,15,18-20,24-25H,5-6,8-11,13-14H2,1-4H3/t18?,19-,20+,22+,23+/m0/s1
InChI Key
HBKBEZURJSNABK-MWJPAGEPSA-N
Solubility
Insoluble in water, soluble in acetone
Complexity
634
Covalently-Bonded Unit Count
1
EC Number
232-482-5
Exact Mass
376.26136g/mol
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
2
Heavy Atom Count
27
Monoisotopic Mass
376.26136g/mol
Rotatable Bond Count
6
XLogP3
3.8
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