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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H29NO2
Molecular Weight 267.407
Optical Activity ( + )
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ALLOPUMILIOTOXIN 267A

SMILES

[H][C@@]12CCCN1C\C(=C/[C@H](C)CCCC)[C@@H](O)[C@]2(C)O

InChI

InChIKey=LWXKAVPXEDNHLL-VRUXTKGDSA-N
InChI=1S/C16H29NO2/c1-4-5-7-12(2)10-13-11-17-9-6-8-14(17)16(3,19)15(13)18/h10,12,14-15,18-19H,4-9,11H2,1-3H3/b13-10+/t12-,14+,15-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H29NO2
Molecular Weight 267.407
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
TEP57TLJ38
Record Status Validated (UNII)
Record Version