Glycyrrhetinyl stearate

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Catalog Number
ACM4827592
Product Name
Glycyrrhetinyl stearate
Structure
Structure
CAS
4827-59-2
Category
Heterocyclic Organic Compound
Synonyms
3-Stearoyloxy glycyrrhetinic acid
IUPAC Name
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-octadecanoyloxy-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Molecular Weight
737.15
Molecular Formula
C48H80O5
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C
InChI
NZGKLLOWEPXNDG-SSCMEWPNSA-N
InChI Key
InChI=1S/C48H80O5/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-40(50)53-39-26-27-46(6)38(43(39,2)3)25-28-48(8)41(46)37(49)33-35-36-34-45(5,42(51)52)30-29-44(36,4)31-32-47(35,48)7/h33,36,38-39,41H,9-32,34H2,1-8H3,(H,51,52)/t36-,38-,39-,41+,44+,45-,46-,47+,48+/m0/s1
H-Bond Acceptor
5
H-Bond Donor
1
Physical State
Solid
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