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

Details

Stereochemistry UNKNOWN
Molecular Formula C30H22O9
Molecular Weight 526.4903
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RUBELLIN C

SMILES

CC1=CC(O)=C2C(=O)O[C@@H](C2=C1)[C@]34CC5=CC(O)=C6C(=O)C7=C(O)C=CC=C7C(=O)C6=C5[C@H]3C=C[C@@H](O)[C@H]4O

InChI

InChIKey=FWHRHQWEGRLEBF-QKXMQONGSA-N
InChI=1S/C30H22O9/c1-11-7-14-22(18(33)8-11)29(38)39-28(14)30-10-12-9-19(34)23-24(20(12)15(30)5-6-17(32)27(30)37)25(35)13-3-2-4-16(31)21(13)26(23)36/h2-9,15,17,27-28,31-34,37H,10H2,1H3/t15-,17-,27-,28+,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H22O9
Molecular Weight 526.4903
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:24:07 GMT 2025
Edited
by admin
on Tue Apr 01 16:24:07 GMT 2025
Record UNII
M73UPM72AK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RUBELLIN C
Common Name English
(+)-RUBELLIN C
Preferred Name English
5H-INDENO(1,2-A)ANTHRACENE-5,13(8H)-DIONE, 8A-((1R)-1,3-DIHYDRO-4-HYDROXY-6-METHYL-3-OXO-1-ISOBENZOFURANYL)-8A,9,10,12A-TETRAHYDRO-4,6,9,10-TETRAHYDROXY-, (8AS,9R,10S,12AS)-REL-(+)-
Systematic Name English
RUBELLIN C, (+)-
Common Name English
Code System Code Type Description
PUBCHEM
119026103
Created by admin on Tue Apr 01 16:24:07 GMT 2025 , Edited by admin on Tue Apr 01 16:24:07 GMT 2025
PRIMARY
FDA UNII
M73UPM72AK
Created by admin on Tue Apr 01 16:24:07 GMT 2025 , Edited by admin on Tue Apr 01 16:24:07 GMT 2025
PRIMARY
CAS
121325-48-2
Created by admin on Tue Apr 01 16:24:07 GMT 2025 , Edited by admin on Tue Apr 01 16:24:07 GMT 2025
PRIMARY