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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H20O6
Molecular Weight 368.3799
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CABENEGRIN A-I

SMILES

C\C(CO)=C/CC1=C2OC[C@@H]3[C@@H](OC4=C3C=C5OCOC5=C4)C2=CC=C1O

InChI

InChIKey=WTAGIHGECXTWAX-CEDAXXPESA-N
InChI=1S/C21H20O6/c1-11(8-22)2-3-12-16(23)5-4-13-20(12)24-9-15-14-6-18-19(26-10-25-18)7-17(14)27-21(13)15/h2,4-7,15,21-23H,3,8-10H2,1H3/b11-2+/t15-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H20O6
Molecular Weight 368.3799
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:20:22 GMT 2025
Edited
by admin
on Mon Mar 31 22:20:22 GMT 2025
Record UNII
ZAX2I4Y14X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CABENEGRIN A-I
MI  
Common Name English
(-)-CABENEGRIN A-I
Preferred Name English
CABENEGRIN A-I [MI]
Common Name English
CABENEGRIN A I
Common Name English
6H-(1,3)DIOXOLO(5,6)BENZOFURO(3,2-C)(1)BENZOPYRAN-3-OL, 6A,12A-DIHYDRO-4-((2E)-4-HYDROXY-3-METHYL-2-BUTEN-1-YL)-, (6AR,12AR)-
Systematic Name English
Code System Code Type Description
FDA UNII
ZAX2I4Y14X
Created by admin on Mon Mar 31 22:20:22 GMT 2025 , Edited by admin on Mon Mar 31 22:20:22 GMT 2025
PRIMARY
MERCK INDEX
m2875
Created by admin on Mon Mar 31 22:20:22 GMT 2025 , Edited by admin on Mon Mar 31 22:20:22 GMT 2025
PRIMARY Merck Index
CAS
84297-59-6
Created by admin on Mon Mar 31 22:20:22 GMT 2025 , Edited by admin on Mon Mar 31 22:20:22 GMT 2025
PRIMARY
PUBCHEM
10248441
Created by admin on Mon Mar 31 22:20:22 GMT 2025 , Edited by admin on Mon Mar 31 22:20:22 GMT 2025
PRIMARY