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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H37O4.K
Molecular Weight 440.6572
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OXPRENOATE POTASSIUM

SMILES

[K+].[H][C@@]12CC[C@@](O)(CCC([O-])=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])[C@H](CCC)CC4=CC(=O)CC[C@]34C

InChI

InChIKey=HXJITUGMCJCKCE-UYOQDFFISA-M
InChI=1S/C25H38O4.K/c1-4-5-16-14-17-15-18(26)6-10-23(17,2)19-7-11-24(3)20(22(16)19)8-12-25(24,29)13-9-21(27)28;/h15-16,19-20,22,29H,4-14H2,1-3H3,(H,27,28);/q;+1/p-1/t16-,19+,20+,22-,23+,24+,25-;/m1./s1

HIDE SMILES / InChI

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C25H37O4
Molecular Weight 401.5589
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
167NDD8MTE
Record Status Validated (UNII)
Record Version