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(3R,5Z,7E,14xi)-1,3,23,25-Tetrahydroxy-9,10-secocholesta-5,7,10-trien-24-one
[CAS# 87678-01-1]

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CAS#: 87678-01-1
Product: (3R,5Z,7E,14xi)-1,3,23,25-Tetrahydroxy-9,10-secocholesta-5,7,10-trien-24-one
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Identification
Name (3R,5Z,7E,14xi)-1,3,23,25-Tetrahydroxy-9,10-secocholesta-5,7,10-trien-24-one
Synonyms 1,23,25-Trihydroxy-24-ketovitamin D3; 24-Keto-1,23,25-trihydroxyvitamin D3
Molecular Structure CAS#: 87678-01-1, (3R,5Z,7E,14xi)-1,3,23,25-Tetrahydroxy-9,10-secocholesta-5,7,10-trien-24-one
Molecular Formula C27H42O5
Molecular Weight 446.62
CAS Registry Number 87678-01-1
SMILES O=C(C(O)(C)C)C(O)C[C@@H](C)[C@H]3CCC2C(=C\C=C1/C(=C)C(O)C[C@H](O)C1)\CCC[C@@]23C
InChI 1S/C27H42O5/c1-16(13-24(30)25(31)26(3,4)32)21-10-11-22-18(7-6-12-27(21,22)5)8-9-19-14-20(28)15-23(29)17(19)2/h8-9,16,20-24,28-30,32H,2,6-7,10-15H2,1,3-5H3/b18-8+,19-9-/t16-,20-,21-,22?,23?,24?,27-/m1/s1
InChIKey ARRIBDAUGOLZSJ-APRJCAQOSA-N
Properties
Density 1.155g/cm3 (Cal.)
Boiling point 621.305°C at 760 mmHg (Cal.)
Flash point 343.567°C (Cal.)
Market Analysis Reports
List of Reports Available for (3R,5Z,7E,14xi)-1,3,23,25-Tetrahydroxy-9,10-secocholesta-5,7,10-trien-24-one
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