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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H44N2O2
Molecular Weight 404.6291
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KURCHOLESSINE

SMILES

C[C@H]1[C@H]2CC[C@H]3[C@@H]4[C@@H](O)C[C@@]5(O)[C@H](C)[C@H](CC[C@]5(C)[C@H]4CC[C@]23CN1C)N(C)C

InChI

InChIKey=OXOKQBJXPMVNLS-QTGGLPCTSA-N
InChI=1S/C25H44N2O2/c1-15-20(26(4)5)10-11-23(3)18-9-12-24-14-27(6)16(2)17(24)7-8-19(24)22(18)21(28)13-25(15,23)29/h15-22,28-29H,7-14H2,1-6H3/t15-,16+,17-,18+,19+,20+,21+,22-,23-,24+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H44N2O2
Molecular Weight 404.6291
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
993ECR9G0R
Record Status Validated (UNII)
Record Version