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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H44O13
Molecular Weight 696.7375
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TAXAGIFINE

SMILES

[H][C@]12[C@H](OC(C)=O)[C@@H]3CC(=O)[C@@]4(C)OC[C@]3(C)[C@@]4(O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]1(C)[C@H](C[C@H](OC(=O)\C=C\C5=CC=CC=C5)C2=C)OC(C)=O

InChI

InChIKey=FQCUWQFKTUBVLA-PGBLWRDZSA-N
InChI=1S/C37H44O13/c1-19-26(50-29(43)15-14-24-12-10-9-11-13-24)17-28(46-20(2)38)35(7)30(19)31(47-21(3)39)25-16-27(42)36(8)37(44,34(25,6)18-45-36)33(49-23(5)41)32(35)48-22(4)40/h9-15,25-26,28,30-33,44H,1,16-18H2,2-8H3/b15-14+/t25-,26-,28-,30-,31+,32-,33-,34-,35+,36+,37-/m0/s1

HIDE SMILES / InChI

Molecular Formula C37H44O13
Molecular Weight 696.7375
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
H6F6Z86DFD
Record Status Validated (UNII)
Record Version