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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H42O9
Molecular Weight 606.7026
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TAXININE

SMILES

[H][C@]12CC(=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)CC[C@H](OC(=O)\C=C\C4=CC=CC=C4)C(=C)[C@@]3([H])[C@@H]1OC(C)=O)C2(C)C

InChI

InChIKey=BAYHEZUZRPMUDM-RZHPVIQDSA-N
InChI=1S/C35H42O9/c1-19-26(39)18-25-31(41-21(3)36)30-20(2)27(44-28(40)15-14-24-12-10-9-11-13-24)16-17-35(30,8)33(43-23(5)38)32(42-22(4)37)29(19)34(25,6)7/h9-15,25,27,30-33H,2,16-18H2,1,3-8H3/b15-14+/t25-,27-,30-,31+,32+,33-,35+/m0/s1

HIDE SMILES / InChI

Approval Year