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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H31NO3
Molecular Weight 345.4757
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAMANDARIDINE

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@H]6NC[C@H](O6)[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])CC(=O)O2

InChI

InChIKey=GUSZSGSYIVZEDM-MZDLDJOOSA-N
InChI=1S/C21H31NO3/c1-20-6-5-13-12(14(20)8-16-15(20)9-19(23)24-16)4-3-11-7-18-22-10-17(25-18)21(11,13)2/h11-18,22H,3-10H2,1-2H3/t11-,12-,13+,14+,15+,16+,17+,18+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H31NO3
Molecular Weight 345.4757
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
WCB49WL3GW
Record Status Validated (UNII)
Record Version