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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H34O6
Molecular Weight 466.566
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEOXYGEDUNIN

SMILES

[H][C@]12CC[C@@]3(C)[C@@H](OC(=O)C=C3[C@]1(C)[C@@H](C[C@@]4([H])C(C)(C)C(=O)C=C[C@]24C)OC(C)=O)C5=COC=C5

InChI

InChIKey=VOUDTVRGPAGHGA-SQIPALKSSA-N
InChI=1S/C28H34O6/c1-16(29)33-22-13-19-25(2,3)21(30)8-11-26(19,4)18-7-10-27(5)20(28(18,22)6)14-23(31)34-24(27)17-9-12-32-15-17/h8-9,11-12,14-15,18-19,22,24H,7,10,13H2,1-6H3/t18-,19+,22-,24+,26-,27-,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H34O6
Molecular Weight 466.566
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
Z8ANY33BM5
Record Status Validated (UNII)
Record Version