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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H37NO9
Molecular Weight 543.6054
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R,6S)-6-(3-((3R,4R)-1-((2S)-2-BENZYL-3-HYDROXY-3-OXO-PROPYL)-3,4-DIMETHYL-4-PIPERIDYL)PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

C[C@H]1CN(C[C@H](CC2=CC=CC=C2)C(O)=O)CC[C@@]1(C)C3=CC=CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=C3

InChI

InChIKey=GTTQMFRQAOMRCA-WVNIWRFFSA-N
InChI=1S/C29H37NO9/c1-17-15-30(16-19(26(34)35)13-18-7-4-3-5-8-18)12-11-29(17,2)20-9-6-10-21(14-20)38-28-24(33)22(31)23(32)25(39-28)27(36)37/h3-10,14,17,19,22-25,28,31-33H,11-13,15-16H2,1-2H3,(H,34,35)(H,36,37)/t17-,19-,22-,23-,24+,25-,28+,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H37NO9
Molecular Weight 543.6054
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
HR9UD9UJ3D
Record Status Validated (UNII)
Record Version