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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 B

SMILES

[H][C@]12C=C[C@@H](O)[C@@]3([H])OC(=O)C4=C(C=C(C)C=C4O)[C@H](O)[C@]13CC5=C2C6=C(C(O)=C5)C(=O)C7=C(O)C=CC(O)=C7C6=O

InChI

InChIKey=KHJHNXVDMFGVEP-PJQIVZKYSA-N
InChI=1S/C30H22O10/c1-10-6-12-20(17(34)7-10)29(39)40-28-16(33)3-2-13-19-11(9-30(13,28)27(12)38)8-18(35)23-24(19)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

Molecular Formula C30H22O10
Molecular Weight 542.4897
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
88B20HYO95
Record Status Validated (UNII)
Record Version