Cas no 4827-59-2 (Glycyrrhetinyl stearate)
Glycyrrhetinyl stearate structure
Product Name:Glycyrrhetinyl stearate
CAS No:4827-59-2
MF:C48H80O5
MW:737.145815849304
CID:931874
Update Time:2023-08-02
Glycyrrhetinyl stearate Chemical and Physical Properties
Names and Identifiers
-
- Glycyrrhetinyl stearate
- R63V8Q8M4R
- 3-Stearoyloxy glycyrrhetinic acid
- 3-Stearoxyglycyrrhetinic acid
- Sgs
- Q27287838
-
- 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
- InChI Key： NZGKLLOWEPXNDG-SSCMEWPNSA-N
- SMILES： O(C(CCCCCCCCCCCCCCCCC)=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@@]5(C)CC[C@@](C(=O)O)(C)C[C@H]5C4=CC([C@@H]32)=O)C1(C)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 53
- Rotatable Bond Count: 19
- Complexity: 1330
- Topological Polar Surface Area: 80.7
Glycyrrhetinyl stearate Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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