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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H43NO10
Molecular Weight 589.6738
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NORBUPRENORPHINE 3-GLUCURONIDE

SMILES

[H][C@@]12OC3=C4C(C[C@H]5NCC[C@@]14[C@@]56CC[C@@]2(OC)[C@]([H])(C6)[C@](C)(O)C(C)(C)C)=CC=C3O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O

InChI

InChIKey=OOLGGESLZHGXGC-TXYLTYGDSA-N
InChI=1S/C31H43NO10/c1-27(2,3)28(4,38)16-13-29-8-9-31(16,39-5)26-30(29)10-11-32-17(29)12-14-6-7-15(22(42-26)18(14)30)40-25-21(35)19(33)20(34)23(41-25)24(36)37/h6-7,16-17,19-21,23,25-26,32-35,38H,8-13H2,1-5H3,(H,36,37)/t16-,17-,19+,20+,21-,23+,25-,26-,28+,29-,30+,31-/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H43NO10
Molecular Weight 589.6738
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
YPZ2R0PR50
Record Status Validated (UNII)
Record Version