U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C37H54O3
Molecular Weight 546.8229
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYL URSOLATE

SMILES

[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)OCC6=CC=CC=C6)[C@@]1(C)CC[C@H](O)C2(C)C

InChI

InChIKey=FUFAPKOCRZYSHH-CVTBAMPXSA-N
InChI=1S/C37H54O3/c1-24-15-20-37(32(39)40-23-26-11-9-8-10-12-26)22-21-35(6)27(31(37)25(24)2)13-14-29-34(5)18-17-30(38)33(3,4)28(34)16-19-36(29,35)7/h8-13,24-25,28-31,38H,14-23H2,1-7H3/t24-,25+,28+,29-,30+,31+,34+,35-,36-,37+/m1/s1

HIDE SMILES / InChI

Molecular Formula C37H54O3
Molecular Weight 546.8229
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:42:00 GMT 2023
Edited
by admin
on Sat Dec 16 05:42:00 GMT 2023
Record UNII
G6IKF0I8B4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYL URSOLATE
INCI  
INCI  
Official Name English
URS-12-EN-28-OIC ACID, 3-HYDROXY-, PHENYLMETHYL ESTER, (3.BETA.)-
Common Name English
BENZYL URSOLATE [INCI]
Common Name English
URSOLIC ACID BENZYL ESTER
Common Name English
Code System Code Type Description
PUBCHEM
67952979
Created by admin on Sat Dec 16 05:42:00 GMT 2023 , Edited by admin on Sat Dec 16 05:42:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID30172800
Created by admin on Sat Dec 16 05:42:00 GMT 2023 , Edited by admin on Sat Dec 16 05:42:00 GMT 2023
PRIMARY
FDA UNII
G6IKF0I8B4
Created by admin on Sat Dec 16 05:42:00 GMT 2023 , Edited by admin on Sat Dec 16 05:42:00 GMT 2023
PRIMARY
CAS
192211-41-9
Created by admin on Sat Dec 16 05:42:00 GMT 2023 , Edited by admin on Sat Dec 16 05:42:00 GMT 2023
PRIMARY