(Q27467026)

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

inferred from SMILES

1 reference

inferred from SMILES

mass

384.339 dalton

1 reference

cholecalciferol (English)

(5E,7E)-(3R)-9,10-seco-5,7,10(19)-cholestatrien-3-ol

19 October 2016

stereoisomer of

2 references

inferred from InChIKey

(5Z,7E)-(3R)-9,10-seco-5,7,10(19)-cholestatrien-3-ol

inferred from InChI

2 references

inferred from InChIKey

1 reference

1 reference

C₂₇H₄₄O

1 reference

cholecalciferol (English)

19 October 2016

canonical SMILES

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

1 reference

cholecalciferol (English)

19 October 2016

isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O)C

1 reference

cholecalciferol (English)

Jean-Claude Bradley Open Melting Point Dataset

19 October 2016

melting point

85.0 degree Celsius

1 reference

stated in

found in taxon

Homo sapiens

2 references

stated in

The human saliva metabolome

stated in

A community-driven global reconstruction of human metabolism.

Identifiers

InChI

InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/t21-,24+,25-,26+,27-/m1/s1

1 reference

cholecalciferol (English)

QYSXJUFSXHHAJI-RWDMXNMGSA-N

19 October 2016

InChIKey

1 reference

cholecalciferol (English)

19 October 2016

1 reference

Vitamin D3 (Cholecalciferol) (English)

19 October 2016

1 reference

cholecalciferol (English)

19 October 2016

1 reference

0 references

1 reference

3VRM (English)

19 October 2016

1 reference

2GJ5 (English)

19 October 2016

1 reference

3C6G (English)

19 October 2016

1 reference

3A50 (English)