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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H46O
Molecular Weight 398.6642
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of VITAMIN D4

SMILES

CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC\C2=C/C=C3/C[C@@H](O)CCC3=C

InChI

InChIKey=DIPPFEXMRDPFBK-JPWDPSJFSA-N
InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H46O
Molecular Weight 398.6642
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
KN41X73N6C
Record Status Validated (UNII)
Record Version