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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H26O14
Molecular Weight 634.5404
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACTINORHODINE

SMILES

C[C@H]1O[C@H](CC(O)=O)CC2=C1C(=O)C3=C(O)C(=CC(O)=C3C2=O)C4=C(O)C5=C(C(O)=C4)C(=O)C6=C([C@@H](C)O[C@H](CC(O)=O)C6)C5=O

InChI

InChIKey=VTIKDEXOEJDMJP-WYUUTHIRSA-N
InChI=1S/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)23-17(33)7-13(27(39)25(23)31(21)43)14-8-18(34)24-26(28(14)40)32(44)22-10(2)46-12(6-20(37)38)4-16(22)30(24)42/h7-12,33-34,39-40H,3-6H2,1-2H3,(H,35,36)(H,37,38)/t9-,10-,11+,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H26O14
Molecular Weight 634.5404
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Patents

Substance Class Chemical
Record UNII
G4HH387T6Z
Record Status Validated (UNII)
Record Version