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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H54O2
Molecular Weight 530.8235
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LUPEOL BENZOATE

SMILES

[H][C@]12[C@@H](CC[C@]1(C)CC[C@]3(C)[C@]2([H])CC[C@]4([H])[C@@]5(C)CC[C@H](OC(=O)C6=CC=CC=C6)C(C)(C)[C@]5([H])CC[C@@]34C)C(C)=C

InChI

InChIKey=GGGPJWXHMZSCEW-WEZIXBNWSA-N
InChI=1S/C37H54O2/c1-24(2)26-16-19-34(5)22-23-36(7)27(31(26)34)14-15-29-35(6)20-18-30(39-32(38)25-12-10-9-11-13-25)33(3,4)28(35)17-21-37(29,36)8/h9-13,26-31H,1,14-23H2,2-8H3/t26-,27+,28-,29+,30-,31+,34+,35-,36+,37+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
LUPEOL BENZOATE
MI  
Common Name English
LUPEOL BENZOATE [MI]
Common Name English
NSC-43869
Code English
LUP-20(29)-EN-3-OL, 3-BENZOATE, (3.BETA.)-
Common Name English
NSC-1151
Code English
LUP-20(29)-EN-3.BETA.-OL, BENZOATE
Common Name English
3-O-BENZOYL-.BETA.-LUPEOL
Common Name English
LUP-20(30)-EN-3.BETA.-OL, BENZOATE
Common Name English
LUP-20(29)-EN-3-OL, BENZOATE, (3.BETA.)-
Common Name English
Code System Code Type Description
NSC
43869
Created by admin on Sat Dec 16 03:31:01 GMT 2023 , Edited by admin on Sat Dec 16 03:31:01 GMT 2023
PRIMARY
MERCK INDEX
m6938
Created by admin on Sat Dec 16 03:31:01 GMT 2023 , Edited by admin on Sat Dec 16 03:31:01 GMT 2023
PRIMARY Merck Index
FDA UNII
RL9B2A4AF1
Created by admin on Sat Dec 16 03:31:01 GMT 2023 , Edited by admin on Sat Dec 16 03:31:01 GMT 2023
PRIMARY
CAS
1617-69-2
Created by admin on Sat Dec 16 03:31:01 GMT 2023 , Edited by admin on Sat Dec 16 03:31:01 GMT 2023
PRIMARY
PUBCHEM
219629
Created by admin on Sat Dec 16 03:31:01 GMT 2023 , Edited by admin on Sat Dec 16 03:31:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID30936585
Created by admin on Sat Dec 16 03:31:01 GMT 2023 , Edited by admin on Sat Dec 16 03:31:01 GMT 2023
PRIMARY
NSC
1151
Created by admin on Sat Dec 16 03:31:01 GMT 2023 , Edited by admin on Sat Dec 16 03:31:01 GMT 2023
PRIMARY