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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H38O6
Molecular Weight 434.5656
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Erinacin C

SMILES

CC(C)C1=C2[C@H]3CC=C(CO)[C@H]4O[C@@H]5[C@@H](O)[C@H](O)CO[C@H]5O[C@@H]4[C@]3(C)CC[C@@]2(C)CC1

InChI

InChIKey=DMPGFSQMXITJPT-ZCKYJUNOSA-N
InChI=1S/C25H38O6/c1-13(2)15-7-8-24(3)9-10-25(4)16(18(15)24)6-5-14(11-26)20-22(25)31-23-21(30-20)19(28)17(27)12-29-23/h5,13,16-17,19-23,26-28H,6-12H2,1-4H3/t16-,17-,19+,20-,21-,22+,23+,24-,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H38O6
Molecular Weight 434.5656
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
RR9WB4ATX2
Record Status Validated (UNII)
Record Version