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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H30O5
Molecular Weight 398.492
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASSAFOETIDNOL A

SMILES

CC1(C)[C@H](O)CC[C@@]2(C)[C@@H](COC3=CC4=C(C=CC(=O)O4)C=C3)C(=C)C[C@@H](O)[C@H]12

InChI

InChIKey=DPUIHKUQXKLJMN-AVPXBJHFSA-N
InChI=1S/C24H30O5/c1-14-11-18(25)22-23(2,3)20(26)9-10-24(22,4)17(14)13-28-16-7-5-15-6-8-21(27)29-19(15)12-16/h5-8,12,17-18,20,22,25-26H,1,9-11,13H2,2-4H3/t17-,18+,20+,22+,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H30O5
Molecular Weight 398.492
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
360517WD50
Record Status Validated (UNII)
Record Version