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Details

Stereochemistry ABSOLUTE
Molecular Formula C39H44N2O7
Molecular Weight 652.7759
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HERNANDEZINE

SMILES

[H][C@]12CC3=CC=C(OC4=C(OC)C=CC(C[C@]5([H])N(C)CCC6=C(OC)C(OC)=C(OC)C(OC7=CC1=C(CCN2C)C=C7OC)=C56)=C4)C=C3

InChI

InChIKey=FUZMQNZACIFDBL-KYJUHHDHSA-N
InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula C39H44N2O7
Molecular Weight 652.7759
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
HPH24MXX7G
Record Status Validated (UNII)
Record Version