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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H44O5
Molecular Weight 448.6353
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIGITOGENIN

SMILES

C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@@H](O)[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)[C@H](O)C[C@]6(C)[C@H]5CC[C@]24C

InChI

InChIKey=COVOPPXLDJVUSC-JPYPKGSXSA-N
InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)21-24(32-27)23(30)22-17-6-5-16-11-19(28)20(29)12-26(16,4)18(17)8-9-25(21,22)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16+,17-,18+,19-,20-,21+,22-,23+,24-,25-,26+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H44O5
Molecular Weight 448.6353
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Patents

Substance Class Chemical
Record UNII
0KY44Q8S8O
Record Status Validated (UNII)
Record Version