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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H25NO6
Molecular Weight 351.3942
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JACOBINE

SMILES

[H][C@]12CCN3CC=C(COC(=O)[C@](C)(O)[C@H](C)C[C@@]4(O[C@H]4C)C(=O)O1)[C@]23[H]

InChI

InChIKey=IAPHXJRHXBQDQJ-WKMWQDDRSA-N
InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H25NO6
Molecular Weight 351.3942
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
GM32U80H1R
Record Status Validated (UNII)
Record Version