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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H37NO9
Molecular Weight 519.584
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACETIC ACID, 2-(2-(2-(2-(((5.ALPHA.,6.ALPHA.)-4,5-EPOXY-3,14-DIHYDROXY-17-(2-PROPEN-1-YL)MORPHINAN-6-YL)OXY)ETHOXY)ETHOXY)ETHOXY)-

SMILES

OC(=O)COCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3CC4=C5C(O[C@@H]1[C@@]25CCN3CC=C)=C(O)C=C4

InChI

InChIKey=CKIMPNYBEIGDOE-ZVHMEQHSSA-N
InChI=1S/C27H37NO9/c1-2-8-28-9-7-26-23-18-3-4-19(29)24(23)37-25(26)20(5-6-27(26,32)21(28)16-18)36-15-14-34-11-10-33-12-13-35-17-22(30)31/h2-4,20-21,25,29,32H,1,5-17H2,(H,30,31)/t20-,21+,25-,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H37NO9
Molecular Weight 519.584
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
2ZU68V975P
Record Status Validated (UNII)
Record Version