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Details

Stereochemistry UNKNOWN
Molecular Formula C30H22O10
Molecular Weight 542.4897
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RUBELLIN D

SMILES

CC1=CC2=C(C(=O)O[C@@H]2[C@]34CC5=C([C@H]3C=C[C@@H](O)[C@H]4O)C6=C(C(O)=C5)C(=O)C7=C(C(O)=CC=C7O)C6=O)C(O)=C1

InChI

InChIKey=PPESFXQGSSHUFR-WVZQVMSVSA-N
InChI=1S/C30H22O10/c1-10-6-12-20(17(34)7-10)29(39)40-28(12)30-9-11-8-18(35)23-24(19(11)13(30)2-3-16(33)27(30)38)26(37)22-15(32)5-4-14(31)21(22)25(23)36/h2-8,13,16,27-28,31-35,38H,9H2,1H3/t13-,16-,27-,28+,30-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(+)-RUBELLIN D
Preferred Name English
RUBELLIN D
Common 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-1,4,6,9,10-PENTAHYDROXY-, (8AS,9R,10S,12AS)-REL-(+)-
Systematic Name English
RUBELLIN D, (+)-
Common Name English
Code System Code Type Description
CAS
121325-49-3
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
EPA CompTox
DTXSID301017603
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
5472451653
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
PUBCHEM
92029293
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