5-trans-25-hydroxycholecalciferol (Q27289296)

inferred from SMILES

mass

400.334±0 dalton

1 reference

Calcifediol anhydrous (English)

14 October 2016

2 references

5,6-trans-25-hydroxyvitamin D3

2 references

(1S)-3-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

1 reference

(5E,7Z)-(3S)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol

2 references

3-epi-25-Hydroxyvitamin D3

1 reference

(5Z,7E)-(3R)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol

1 reference

(5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol

1 reference

chemical formula

C₂₇H₄₄O₂

1 reference

Calcifediol anhydrous (English)

14 October 2016

canonical SMILES

CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

1 reference

Calcifediol anhydrous (English)

14 October 2016

isomeric SMILES

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](CCC3=C)O)C

1 reference

Calcifediol anhydrous (English)

InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12+/t20-,23+,24-,25+,27-/m1/s1

14 October 2016

Identifiers

InChI

1 reference

Calcifediol anhydrous (English)

JWUBBDSIWDLEOM-WIFPIRAHSA-N

14 October 2016

InChIKey

1 reference

Calcifediol anhydrous (English)

14 October 2016

1 reference

(3S,5E,7E)-9,10-Secocholesta-5,7,10-triene-3,25-diol (English)

14 October 2016

2 references

Calcifediol anhydrous (English)

matched by identifier from

14 October 2016

InChIKey

JWUBBDSIWDLEOM-WIFPIRAHSA-N

1 reference

Global Substance Registration System

CHEMBL3250186 (English)

14 October 2016

1 reference

2 references

UNII

SN331791VY

5-trans-25-hydroxycholecalciferol (English)