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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H31NO2
Molecular Weight 305.4549
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAMANDARINE

SMILES

[H][C@@]12C[C@H](O)C[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@]4([H])C[C@H]5NC[C@H](O5)[C@]34C

InChI

InChIKey=HJCSQOSWSRPBOU-XTXNWKRWSA-N
InChI=1S/C19H31NO2/c1-18-6-5-14-13(15(18)8-12(21)9-18)4-3-11-7-17-20-10-16(22-17)19(11,14)2/h11-17,20-21H,3-10H2,1-2H3/t11-,12+,13-,14+,15+,16+,17+,18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H31NO2
Molecular Weight 305.4549
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
IJN7TXF3HK
Record Status Validated (UNII)
Record Version