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Details

Stereochemistry ACHIRAL
Molecular Formula C30H18O10
Molecular Weight 538.4579
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SENNIDIN B

SMILES

[H][C@@]1(C2=C(C(O)=CC=C2)C(=O)C3=C1C=C(C=C3O)C(O)=O)[C@]4([H])C5=C(C(O)=CC=C5)C(=O)C6=C4C=C(C=C6O)C(O)=O

InChI

InChIKey=JPMRHWLJLNKRTJ-SZPZYZBQSA-N
InChI=1S/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)/t21-,22+

HIDE SMILES / InChI

Molecular Formula C30H18O10
Molecular Weight 538.4579
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:27:33 GMT 2023
Edited
by admin
on Sat Dec 16 18:27:33 GMT 2023
Record UNII
VI631S52AW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SENNIDIN B
Common Name English
(9,9'-BIANTHRACENE)-2,2'-DICARBOXYLIC ACID, 9,9',10,10'-TETRAHYDRO-4,4',5,5'-TETRAHYDROXY-10,10'-DIOXO-, (9R,9'S)-REL-
Systematic Name English
(9,9'-BIANTHRACENE)-2,2'-DICARBOXYLIC ACID, 9,9',10,10'-TETRAHYDRO-4,4',5,5'-TETRAHYDROXY-10,10'-DIOXO-, (R*,S*)-
Systematic Name English
(9,9'-BIANTHRACENE)-2,2'-DICARBOXYLIC ACID, 9,9',10,10'-TETRAHYDRO-4,4',5,5'-TETRAHYDROXY-10,10'-DIOXO-, MESO-
Systematic Name English
NSC-658576
Code English
SENNIDINE B
Common Name English
Code System Code Type Description
CAS
517-44-2
Created by admin on Sat Dec 16 18:27:33 GMT 2023 , Edited by admin on Sat Dec 16 18:27:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID601318414
Created by admin on Sat Dec 16 18:27:33 GMT 2023 , Edited by admin on Sat Dec 16 18:27:33 GMT 2023
PRIMARY
NSC
658576
Created by admin on Sat Dec 16 18:27:33 GMT 2023 , Edited by admin on Sat Dec 16 18:27:33 GMT 2023
PRIMARY
PUBCHEM
10459879
Created by admin on Sat Dec 16 18:27:33 GMT 2023 , Edited by admin on Sat Dec 16 18:27:33 GMT 2023
PRIMARY
ECHA (EC/EINECS)
208-239-4
Created by admin on Sat Dec 16 18:27:33 GMT 2023 , Edited by admin on Sat Dec 16 18:27:33 GMT 2023
PRIMARY
FDA UNII
VI631S52AW
Created by admin on Sat Dec 16 18:27:33 GMT 2023 , Edited by admin on Sat Dec 16 18:27:33 GMT 2023
PRIMARY