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

Details

Stereochemistry ABSOLUTE
Molecular Formula C35H52O5
Molecular Weight 552.7844
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of LANTADENE A

SMILES

[H][C@@]12CC(C)(C)C[C@@H](OC(=O)C(\C)=C/C)[C@@]1(CC[C@]3(C)C2=CC[C@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@@]34C)C(O)=O

InChI

InChIKey=KCLIRHUTOPOHKJ-LSZVMECJSA-N
InChI=1S/C35H52O5/c1-10-21(2)28(37)40-27-20-30(3,4)19-23-22-11-12-25-32(7)15-14-26(36)31(5,6)24(32)13-16-34(25,9)33(22,8)17-18-35(23,27)29(38)39/h10-11,23-25,27H,12-20H2,1-9H3,(H,38,39)/b21-10-/t23-,24-,25+,27+,32-,33+,34+,35-/m0/s1

HIDE SMILES / InChI

Molecular Formula C35H52O5
Molecular Weight 552.7844
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:10:59 GMT 2023
Edited
by admin
on Sat Dec 16 11:10:59 GMT 2023
Record UNII
9SK62WCU1W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LANTADENE A
Common Name English
REHMANNIC ACID
Common Name English
OLEAN-12-EN-28-OIC ACID, 22-(((2Z)-2-METHYL-1-OXO-2-BUTEN-1-YL)OXY)-3-OXO-, (22.BETA.)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID401139272
Created by admin on Sat Dec 16 11:10:59 GMT 2023 , Edited by admin on Sat Dec 16 11:10:59 GMT 2023
PRIMARY
CAS
467-81-2
Created by admin on Sat Dec 16 11:10:59 GMT 2023 , Edited by admin on Sat Dec 16 11:10:59 GMT 2023
PRIMARY
PUBCHEM
6436598
Created by admin on Sat Dec 16 11:10:59 GMT 2023 , Edited by admin on Sat Dec 16 11:10:59 GMT 2023
PRIMARY
HSDB
3503
Created by admin on Sat Dec 16 11:10:59 GMT 2023 , Edited by admin on Sat Dec 16 11:10:59 GMT 2023
PRIMARY
FDA UNII
9SK62WCU1W
Created by admin on Sat Dec 16 11:10:59 GMT 2023 , Edited by admin on Sat Dec 16 11:10:59 GMT 2023
PRIMARY