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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H34O7
Molecular Weight 434.5226
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Nigakilactone C

SMILES

[H][C@]12C[C@@]3([H])[C@H](C)C=C(OC)C(=O)[C@]3(C)[C@@]4([H])[C@H](OC(C)=O)[C@@H](OC)[C@H](C)[C@]([H])(CC(=O)O1)[C@]24C

InChI

InChIKey=JFFUKRBVELYCPJ-FIKFPIMESA-N
InChI=1S/C24H34O7/c1-11-8-16(28-6)22(27)24(5)14(11)9-17-23(4)15(10-18(26)31-17)12(2)19(29-7)20(21(23)24)30-13(3)25/h8,11-12,14-15,17,19-21H,9-10H2,1-7H3/t11-,12-,14+,15+,17-,19+,20-,21+,23-,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H34O7
Molecular Weight 434.5226
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
QBP9GW28WH
Record Status Validated (UNII)
Record Version