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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H44O
Molecular Weight 384.6377
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pyrocholecalciferol

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C

InChI

InChIKey=UCTLRSWJYQTBFZ-KEPKOUJCSA-N
InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H44O
Molecular Weight 384.6377
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
684W34U5SC
Record Status Validated (UNII)
Record Version