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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H22O10
Molecular Weight 542.4897
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RUGULOSIN A

SMILES

[H][C@@]1(O)[C@@H]2C(O)=C3C(=O)C4=C(O)C=C(C)C=C4C(=O)[C@@]35[C@@]6([H])C(O)=C7C(=O)C8=C(O)C=C(C)C=C8C(=O)[C@@]27[C@]([H])([C@]6([H])O)[C@@]15[H]

InChI

InChIKey=OYNIPTDPTUSUAY-HJCFMKLBSA-N
InChI=1S/C30H22O10/c1-7-3-9-13(11(31)5-7)21(33)17-25(37)20-23(35)15-16-24(36)19(29(15,17)27(9)39)26(38)18-22(34)14-10(28(40)30(16,18)20)4-8(2)6-12(14)32/h3-6,15-16,19-20,23-24,31-32,35-38H,1-2H3/t15-,16-,19+,20?,23-,24-,29+,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H22O10
Molecular Weight 542.4897
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
7020AB775D
Record Status Validated (UNII)
Record Version