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

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H50O6
Molecular Weight 554.7572
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACACIC ACID LACTONE DIACETATE

SMILES

[H][C@]12C[C@@]3([C@@H](C[C@]4(C)C(=CC[C@]5([H])[C@@]6(C)CC[C@H](OC(C)=O)C(C)(C)[C@]6([H])CC[C@@]45C)[C@]3([H])CC1(C)C)OC(C)=O)C(=O)O2

InChI

InChIKey=XVLUMMKUFKGMMF-CHEPPZJESA-N
InChI=1S/C34H50O6/c1-19(35)38-25-13-14-31(7)23(30(25,5)6)12-15-32(8)24(31)11-10-21-22-16-29(3,4)26-18-34(22,28(37)40-26)27(39-20(2)36)17-33(21,32)9/h10,22-27H,11-18H2,1-9H3/t22-,23-,24+,25-,26-,27+,31-,32+,33+,34+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ACACIC ACID LACTONE DIACETATE
MI  
Common Name English
ACACIC ACID LACTONE DIACETATE [MI]
Common Name English
OLEAN-12-EN-12-OIC ACID, 3,16-BIS(ACETYLOXY)-21-HYDROXY-, .GAMMA.-LACTONE, (3.BETA.,16.ALPHA.,21.BETA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
3O3QWS2P87
Created by admin on Sat Dec 16 10:58:20 GMT 2023 , Edited by admin on Sat Dec 16 10:58:20 GMT 2023
PRIMARY
PUBCHEM
71587222
Created by admin on Sat Dec 16 10:58:20 GMT 2023 , Edited by admin on Sat Dec 16 10:58:20 GMT 2023
PRIMARY
CAS
63983-72-2
Created by admin on Sat Dec 16 10:58:20 GMT 2023 , Edited by admin on Sat Dec 16 10:58:20 GMT 2023
PRIMARY