(3S,6R)-6-[(1R,3aR,4E,7aS)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidene-cyc lohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-y l]-2-methyl-heptane-2,3-diol

Synonym(s):(24S)-24,25-Dihydroxycholecalciferol

CAS NO.：55700-58-8
Empirical Formula: C27H44O3
Molecular Weight: 416.64
MDL number: MFCD11114064
SAFETY DATA SHEET (SDS)
Update Date: 2023-05-18 11:30:58

(3S,6R)-6-[(1R,3aR,4E,7aS)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidene-cyc lohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-y l]-2-methyl-heptane-2,3-diol Structural

What is (3S,6R)-6-[(1R,3aR,4E,7aS)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidene-cyc lohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-y l]-2-methyl-heptane-2,3-diol?

The Uses of (3S,6R)-6-[(1R,3aR,4E,7aS)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidene-cyc lohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-y l]-2-methyl-heptane-2,3-diol

(24S)-Secalciferol is an isomer of Secalciferol (S211500); a metabolite of Vitamin D and a possible anti-inflammatory steroid.

Biochem/physiol Actions

Cholecalciferol is an inactive form of vitamin D3 which undergoes various levels of hydroxylation to form active vitamin D3 analogs. 1α-Hydroxyvitamin D3 (alfacalcidol) is a synthetic analog that is metabolized to 1,25-dihydroxycholecalciferol, the biologically active form of vitamin D3. Other analogues of cholecalciferol result from different hydroxylations. 24S,25-Dihydroxyvitamin D3 should not be confused with 24R,25-Dihydroxyvitamin D3.

Properties of (3S,6R)-6-[(1R,3aR,4E,7aS)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidene-cyc lohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-y l]-2-methyl-heptane-2,3-diol

Melting point:	114.6 °C
Boiling point:	571.1±35.0 °C(Predicted)
Density	1.06±0.1 g/cm3(Predicted)
storage temp.	-20°C
solubility	Chloroform (Slightly), Methanol (Slightly)
pka	14.67±0.29(Predicted)
form	Semi-Solid
color	White to Off-White
Stability:	Light Sensitive, Temperature Sensitive

Safety information for (3S,6R)-6-[(1R,3aR,4E,7aS)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidene-cyc lohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-y l]-2-methyl-heptane-2,3-diol

Signal word	Danger
Pictogram(s)	Skull and Crossbones Acute Toxicity GHS06
GHS Hazard Statements	H300:Acute toxicity,oral
Precautionary Statement Codes	P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

Computed Descriptors for (3S,6R)-6-[(1R,3aR,4E,7aS)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidene-cyc lohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-y l]-2-methyl-heptane-2,3-diol

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