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Details

Stereochemistry RACEMIC
Molecular Formula C30H26O10
Molecular Weight 546.5214
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYPOCRELLIN A

SMILES

COC1=CC(=O)C2=C(O)C(OC)=C3[C@H](C(C)=O)[C@](C)(O)CC4=C(OC)C(=O)C5=C6C(=C(OC)C=C5O)C1=C2C3=C46

InChI

InChIKey=URTOHKHBNYPGQJ-SETSBSEESA-N
InChI=1S/C30H26O10/c1-10(31)25-24-22-16-11(9-30(25,2)36)28(39-5)26(34)17-12(32)7-14(37-3)19(21(16)17)20-15(38-4)8-13(33)18(23(20)22)27(35)29(24)40-6/h7-8,25,32,35-36H,9H2,1-6H3/t25-,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H26O10
Molecular Weight 546.5214
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
V86371B0XS
Record Status Validated (UNII)
Record Version