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

Details

Stereochemistry ACHIRAL
Molecular Formula C30H32O8
Molecular Weight 520.5703
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TETRAHYDROROTTLERIN

SMILES

CC(=O)C1=C(O)C(CC2=C(O)C(C(=O)CCC3=CC=CC=C3)=C4OC(C)(C)CCC4=C2O)=C(O)C(C)=C1O

InChI

InChIKey=ATTMOURFUHRHPZ-UHFFFAOYSA-N
InChI=1S/C30H32O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-9,33-37H,10-14H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C30H32O8
Molecular Weight 520.5703
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:24:16 GMT 2023
Edited
by admin
on Sat Dec 16 00:24:16 GMT 2023
Record UNII
46Z5TJ0QAQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TETRAHYDROROTTLERIN
MI  
Common Name English
TETRAHYDROROTTLERIN [MI]
Common Name English
1-PROPANONE, 1-(6-((3-ACETYL-2,4,6-TRIHYDROXY-5-METHYLPHENYL)METHYL)-3,4-DIHYDRO-5,7-DIHYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-8-YL)-3-PHENYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10233741
Created by admin on Sat Dec 16 00:24:16 GMT 2023 , Edited by admin on Sat Dec 16 00:24:16 GMT 2023
PRIMARY
PUBCHEM
71587805
Created by admin on Sat Dec 16 00:24:16 GMT 2023 , Edited by admin on Sat Dec 16 00:24:16 GMT 2023
PRIMARY
FDA UNII
46Z5TJ0QAQ
Created by admin on Sat Dec 16 00:24:16 GMT 2023 , Edited by admin on Sat Dec 16 00:24:16 GMT 2023
PRIMARY
CAS
847152-13-0
Created by admin on Sat Dec 16 00:24:16 GMT 2023 , Edited by admin on Sat Dec 16 00:24:16 GMT 2023
PRIMARY