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

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H52O2
Molecular Weight 468.7541
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LUPEOL ACETATE

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(C)=O)C(C)(C)[C@]5([H])CC[C@@]34C)C(C)=C

InChI

InChIKey=ODSSDTBFHAYYMD-YOJQYFTNSA-N
InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,29+,30-,31+,32+/m0/s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
4.1 µM [IC50]
PubMed

PubMed

TitleDatePubMed
Irritant potential of triterpenoids from Ficus carica leaves.
2002 Aug
Irritant potential of some constituents from the seeds of Caesalpinia bonducella (L.) fleming.
2003 Mar
Daboia russellii and Naja kaouthia venom neutralization by lupeol acetate isolated from the root extract of Indian sarsaparilla Hemidesmus indicus R.Br.
2006 Jun 15
[Triterpenoids and steroids of root of Rubus biflorus].
2008 Nov
Name Type Language
LUPEOL ACETATE
MI  
Common Name English
LUPENYL ACETATE
Common Name English
LUP-20(29)-EN-3.BETA.-YL ACETATE
Common Name English
LUPEYL ACETATE
Common Name English
LUP-20(29)-EN-3-OL, ACETATE, (3.BETA.)-
Common Name English
LUPEOL 3-ACETATE
Common Name English
3-O-ACETYLLUPEOL
Common Name English
3-ACETYLLUPEOL
Common Name English
LUP-20(29)-EN-3.BETA.-OL, ACETATE
Common Name English
3.BETA.-OAC-20(29)-LUPENE
Common Name English
NSC-281806
Code English
CLERODOL ACETATE
Common Name English
LUPEOL ACETATE [MI]
Common Name English
ACETYLLUPEOL
Common Name English
LUP-20(30)-EN-3.BETA.-OL, ACETATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70936584
Created by admin on Sat Dec 16 04:02:01 GMT 2023 , Edited by admin on Sat Dec 16 04:02:01 GMT 2023
PRIMARY
ECHA (EC/EINECS)
216-575-8
Created by admin on Sat Dec 16 04:02:01 GMT 2023 , Edited by admin on Sat Dec 16 04:02:01 GMT 2023
PRIMARY
MESH
C055329
Created by admin on Sat Dec 16 04:02:01 GMT 2023 , Edited by admin on Sat Dec 16 04:02:01 GMT 2023
PRIMARY
CAS
1617-68-1
Created by admin on Sat Dec 16 04:02:01 GMT 2023 , Edited by admin on Sat Dec 16 04:02:01 GMT 2023
PRIMARY
MERCK INDEX
m6938
Created by admin on Sat Dec 16 04:02:01 GMT 2023 , Edited by admin on Sat Dec 16 04:02:01 GMT 2023
PRIMARY Merck Index
PUBCHEM
92157
Created by admin on Sat Dec 16 04:02:01 GMT 2023 , Edited by admin on Sat Dec 16 04:02:01 GMT 2023
PRIMARY
NSC
281806
Created by admin on Sat Dec 16 04:02:01 GMT 2023 , Edited by admin on Sat Dec 16 04:02:01 GMT 2023
PRIMARY
FDA UNII
WJ3A89G0H6
Created by admin on Sat Dec 16 04:02:01 GMT 2023 , Edited by admin on Sat Dec 16 04:02:01 GMT 2023
PRIMARY